data_2rre_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 2rre _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 ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.801 0.334 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -39.21 68.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -41.33 77.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -75.09 -52.02 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.98 -44.85 91.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.39 -44.59 90.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 10.9 t -64.75 -52.43 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.3 pt -54.46 -36.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -72.23 -32.72 66.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.409 ' CE2' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.29 -39.0 65.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.378 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.0 -44.28 61.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.661 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -59.22 -46.81 87.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.8 p -63.57 -36.39 83.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -173.41 168.87 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -58.02 -57.28 13.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.24 -33.22 85.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.0 mt -73.09 -47.98 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.17 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -64.36 -32.36 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.23 -48.0 31.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.99 -38.58 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -74.02 -36.24 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -62.65 -48.08 80.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.409 HD12 ' CE2' ' A' ' 20' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mt -64.3 -40.8 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.56 -46.17 91.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -66.56 -33.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.76 -46.22 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -33.22 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 65' ' ' ILE . 17.2 t -71.16 -31.56 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.984 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -69.67 -39.79 76.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.389 . . . . 0.0 110.715 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -74.72 -35.52 62.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.294 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 62' ' ' VAL . 14.6 tt -73.74 -41.8 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.968 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 30.5 pt -58.27 -34.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.2 t -74.99 -47.29 29.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.268 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.4 t -74.34 -39.66 62.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.954 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -74.92 -49.75 19.14 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.4 mptp? -86.47 -49.1 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 111.243 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.94 -179.825 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.692 0.282 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -38.54 71.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -38.57 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.692 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -50.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.758 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.54 -44.82 96.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.88 -42.98 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 8.7 t -66.1 -52.39 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.2 pt -54.57 -36.51 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -72.27 -32.68 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -37.23 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.553 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.05 -39.74 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 t -63.43 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 -42.13 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -157.39 154.97 29.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p -61.37 -57.01 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.5 -33.83 86.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.439 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.85 -46.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.48 -48.27 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.89 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.347 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -50.88 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.91 -40.93 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 tp -61.59 -48.26 81.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -74.16 -29.97 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -66.15 -48.11 71.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.863 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.81 -40.44 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.36 -46.22 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.99 -34.89 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.27 -46.7 85.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -74.13 -35.4 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.488 ' O ' HG21 ' A' ' 65' ' ' ILE . 7.7 t -69.72 -31.64 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -71.15 -39.48 71.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.838 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.78 -33.46 62.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.488 HG21 ' O ' ' A' ' 62' ' ' VAL . 16.8 tt -75.07 -46.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.65 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 32.2 pt -53.89 -36.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.672 0.272 . . . . 0.0 111.245 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -50.41 62.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -50.04 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.542 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 16.6 mm-40 -55.23 -49.28 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.656 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 3.7 mptp? -84.49 -53.77 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.987 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -31.8 57.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.874 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -46.22 84.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 0.0 110.626 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -72.4 -52.0 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -56.99 -46.76 82.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.345 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.54 -39.44 91.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 19.7 t -67.69 -52.26 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 19' ' ' GLN . 41.3 pt -54.07 -38.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.41 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.1 mt-30 -72.29 -31.2 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.007 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.35 -40.75 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.284 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.13 -47.04 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.798 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 t -57.03 -49.69 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -60.63 -31.95 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -177.22 167.7 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.6 p -58.46 -59.11 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.79 -32.47 74.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.421 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.6 mt -73.04 -41.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -45.2 85.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.65 78.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.251 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -66.75 -42.94 85.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.87 -46.7 56.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.73 -38.87 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -74.09 -41.83 61.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -58.66 -48.1 82.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.152 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.967 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.797 0.332 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.6 mt -67.88 -34.7 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -46.24 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.9 t -70.06 -33.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.679 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.79 -44.56 93.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.432 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -39.09 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.515 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 65' ' ' ILE . 7.4 t -64.06 -32.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -71.59 -40.78 69.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.969 0.414 . . . . 0.0 110.467 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 p -74.76 -32.18 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.364 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' VAL . 15.1 tt -76.11 -42.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.68 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 23.2 pt -57.47 -34.64 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 111.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -50.57 32.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.251 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -44.57 52.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.83 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.67 -49.54 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.3 mptp? -86.37 -49.76 7.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.727 0.298 . . . . 0.0 111.179 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -179.879 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.773 0.321 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -37.09 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.84 -41.31 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 110.661 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.6 ttpm? -74.71 -46.92 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.868 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -46.71 84.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.667 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 21' ' ' LEU . 15.4 t -66.08 -52.26 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 19' ' ' GLN . 46.1 pt -54.58 -37.91 40.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 111.261 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.1 mm100 -72.28 -31.03 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -42.39 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.272 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.414 HD13 ' CG1' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -73.15 -41.01 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -65.57 -48.66 71.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -67.47 -42.16 83.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -145.37 165.21 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -61.97 -53.23 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -33.18 84.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.46 -46.3 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.53 -42.83 93.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.12 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 m -66.31 -40.82 90.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.66 -48.16 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -59.08 -34.0 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -37.59 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -63.54 -48.09 78.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.9 0.381 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mt -62.47 -38.67 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.41 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.87 -35.02 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.38 -48.63 77.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.658 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -70.96 -36.73 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 65' ' ' ILE . 8.7 t -69.19 -31.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -70.86 -39.45 72.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.904 0.383 . . . . 0.0 110.779 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 p -74.83 -33.56 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.356 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 62' ' ' VAL . 16.3 tt -76.15 -42.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.8 pt -57.21 -34.75 46.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.285 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -51.9 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -50.0 21.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.431 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.32 -49.16 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.564 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -86.07 -55.04 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.305 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -54.89 -37.86 66.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -42.99 79.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -74.28 -46.87 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -63.1 -50.02 72.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.363 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -63.25 -41.33 99.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.3 t -64.66 -52.27 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.005 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 19' ' ' GLN . 47.1 pt -55.75 -34.99 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.244 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.2 -32.44 66.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.425 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.4 m-85 -74.45 -40.55 61.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD13 HD12 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -73.08 -40.57 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -66.11 -49.36 67.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -67.22 -43.08 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -141.06 161.17 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.806 0.336 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.0 p -59.64 -53.8 53.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.18 -36.15 92.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.83 -42.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.41 -42.26 83.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.27 -48.76 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -63.7 -37.19 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -72.28 -46.0 57.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.06 -39.42 82.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -74.13 -36.81 64.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -61.95 -48.02 82.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD11 ' CE2' ' A' ' 20' ' ' TYR . 1.1 pp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.31 -43.26 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.2 t -65.19 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.38 -46.4 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.99 -41.3 59.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.456 ' O ' HG21 ' A' ' 65' ' ' ILE . 14.2 t -61.09 -31.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -71.1 -42.45 69.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 0.0 110.77 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.8 m -74.71 -31.66 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.486 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.456 HG21 ' O ' ' A' ' 62' ' ' VAL . 15.3 tt -76.12 -44.8 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.929 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 HD13 ' A' ' 21' ' ' LEU . 23.6 pt -53.91 -34.7 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 111.247 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -49.72 33.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.21 -50.26 19.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.038 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.66 -49.51 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.787 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.6 mptp? -86.24 -55.01 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.858 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.88 -35.23 63.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -41.24 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.727 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -74.16 -50.72 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.37 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -62.28 -42.23 99.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 7.1 t -65.53 -52.53 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.46 -34.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.84 0.352 . . . . 0.0 111.167 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -72.12 -34.05 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.432 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.7 m-85 -75.01 -39.52 61.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -70.71 -47.9 57.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -62.35 -45.89 91.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -64.73 -32.73 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -166.81 160.81 14.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.752 0.31 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.1 p -59.4 -57.43 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.29 -36.33 92.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.45 HG23 HD12 ' A' ' 34' ' ' ILE . 40.5 mt -67.29 -40.3 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 tp -67.65 -39.49 84.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.11 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.269 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -67.56 -39.58 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -68.82 -48.09 64.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD11 ' CD2' ' A' ' 20' ' ' TYR . 3.1 tp -58.84 -37.99 77.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.1 -38.11 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.11 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 1.1 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.745 0.307 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.56 -40.26 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.728 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -45.97 92.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.19 -34.94 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.27 -49.39 77.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.603 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' ILE . 13.6 t -70.75 -31.58 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -71.07 -42.23 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 0.0 110.73 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -74.77 -31.59 61.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.477 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 62' ' ' VAL . 14.5 tt -76.15 -41.82 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.86 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 21' ' ' LEU . 30.7 pt -57.49 -34.77 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 1.8 p -75.04 -48.65 22.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.54 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -73.85 -39.19 64.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.621 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.05 -49.09 20.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.69 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -84.96 -47.91 9.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.456 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 110.792 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.692 0.282 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -35.91 68.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -41.84 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 18' ' ' ILE . 24.4 ttpt -73.19 -52.14 15.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -47.47 85.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.454 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -64.82 -39.94 94.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 12.8 t -68.66 -52.4 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 14' ' ' LYS . 31.8 pt -54.02 -38.61 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -32.43 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 1.4 m-85 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.467 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -71.89 -48.54 45.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.808 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.8 m -57.72 -38.18 74.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 -33.08 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -167.63 151.77 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 p -59.81 -55.61 32.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.91 92.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.16 -43.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.95 -50.82 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.403 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -59.0 -46.73 87.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.24 -39.19 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.75 -48.42 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.09 -30.05 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -45.71 70.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 2.4 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.989 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.8 mt -66.22 -37.2 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -63.78 -46.08 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.17 -37.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.029 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.16 -47.37 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -32.4 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.706 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' ILE . 7.3 t -73.77 -31.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -71.04 -41.21 71.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 110.676 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.5 p -74.89 -32.47 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.431 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' VAL . 11.4 tt -76.15 -43.18 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.8 pt -54.02 -34.8 27.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.851 0.357 . . . . 0.0 111.557 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -75.05 -50.8 15.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.573 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -74.37 -50.12 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.075 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -64.81 -49.56 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.08 -53.72 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.688 0.28 . . . . 0.0 111.214 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.192 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -39.38 69.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -38.73 72.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -75.16 -51.96 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.752 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -65.96 -45.85 80.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.777 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 10.4 t -64.57 -52.28 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.3 pt -54.62 -37.85 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.373 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -72.15 -30.89 65.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.58 -39.85 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.13 -46.09 53.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 110.708 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -60.31 -35.28 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -163.46 155.59 17.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -59.97 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.92 85.04 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.61 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.8 mt -71.8 -46.94 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 111.18 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.49 -43.41 89.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.09 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -46.71 88.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.13 -47.04 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.46 -39.56 84.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -74.21 -35.44 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.836 0.351 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.0 mt -72.53 -53.04 20.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -58.07 -46.06 86.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.95 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.3 p -67.48 -32.84 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.649 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -62.82 -48.14 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -31.45 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.605 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' O ' HG21 ' A' ' 65' ' ' ILE . 14.8 t -66.29 -31.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -66.31 -38.97 88.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 -36.65 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 62' ' ' VAL . 13.8 tt -74.85 -43.09 46.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.984 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.0 pt -54.41 -40.29 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 t -75.22 -39.64 59.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.266 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -49.04 25.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.601 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.15 -49.12 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.526 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -81.14 -55.06 5.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.232 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.899 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.698 0.285 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -34.99 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.18 -42.53 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.719 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -51.97 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.01 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.11 97.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG12 HD11 ' A' ' 66' ' ' ILE . 11.6 t -65.27 -52.44 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 19' ' ' GLN . 49.2 pt -54.62 -36.33 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 18' ' ' ILE . 4.1 mt-30 -72.3 -31.56 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.01 -39.49 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.2 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 HD11 HD11 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -73.05 -45.25 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.815 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 m -59.94 -50.09 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 t -61.55 -30.94 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.97 162.27 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.888 0.375 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -58.68 -57.86 11.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.31 88.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.21 -43.81 74.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.2 -41.84 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.54 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -48.32 78.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.93 -48.04 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.29 -41.4 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.04 -34.5 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -48.28 82.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.806 0.336 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 mt -61.75 -41.05 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.4 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.15 -46.84 88.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -33.83 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 65' ' ' ILE . 8.0 t -66.55 -31.55 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -71.1 -41.28 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.66 -31.7 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.493 HG21 ' O ' ' A' ' 62' ' ' VAL . 14.7 tt -75.67 -46.32 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.637 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 28.4 pt -53.88 -36.97 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 0.0 111.257 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -48.35 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.776 0.322 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -74.27 -50.11 20.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.653 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 6.6 mt-10 -57.99 -49.46 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.821 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.4 mptp? -82.71 -44.3 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 111.223 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.891 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -39.02 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -41.66 78.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.03 -52.1 11.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.846 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.94 -47.23 85.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.012 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.61 -52.41 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 19' ' ' GLN . 49.8 pt -55.08 -35.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' N ' HG13 ' A' ' 18' ' ' ILE . 3.0 mt-30 -72.22 -32.38 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.32 -39.64 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD12 HD12 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -73.03 -46.98 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.795 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -58.86 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -177.45 157.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.689 0.281 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 p -54.81 -52.09 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.66 -34.38 88.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.003 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.9 mp -77.31 -43.91 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -43.91 84.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.44 74.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.55 -45.85 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.28 -48.02 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.41 -40.8 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -74.07 -37.5 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -58.3 -48.18 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.807 0.336 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.53 -39.15 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.55 -36.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -61.58 -47.71 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -75.02 -33.88 61.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' ILE . 10.4 t -72.13 -31.82 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -71.15 -40.05 71.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 0.0 110.653 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -74.8 -32.85 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 62' ' ' VAL . 16.0 tt -76.08 -43.47 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 HD12 ' A' ' 21' ' ' LEU . 35.5 pt -55.48 -34.79 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -49.23 32.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.99 -50.12 21.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.688 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -81.48 -48.65 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.737 0.303 . . . . 0.0 111.358 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.765 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.719 0.295 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -35.55 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.89 -41.46 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -74.51 -51.54 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.33 -47.26 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -41.64 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' CG1' HD12 ' A' ' 21' ' ' LEU . 6.9 t -65.97 -52.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.045 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.0 -36.09 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -72.27 -32.61 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -39.46 66.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.306 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.14 -47.99 39.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.811 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -58.43 -50.01 75.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -62.39 -37.63 86.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.41 151.54 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.803 0.335 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 p -61.4 -61.38 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.51 81.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.0 mt -74.43 -47.2 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.68 -48.14 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.38 -52.08 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.341 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -58.25 -49.41 77.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.027 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.4 -50.71 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -69.44 -29.95 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -67.68 -47.94 68.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.064 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -179.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.839 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.34 -39.1 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.33 -46.04 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.88 -31.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.04 -50.64 69.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -33.26 61.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.458 ' O ' HG22 ' A' ' 65' ' ' ILE . 3.6 t -70.45 -31.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -71.17 -37.43 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.9 m -74.79 -33.99 62.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.254 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 62' ' ' VAL . 12.2 tt -76.17 -43.01 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.791 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 36.8 pt -56.63 -36.76 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 0.0 111.433 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.73 -49.67 44.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.375 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -38.55 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.879 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -49.71 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -86.44 -53.07 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 0.0 111.136 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.768 0.318 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -38.33 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.33 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.2 ttpm? -74.69 -52.08 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -61.0 -46.27 91.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.76 -40.75 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.413 ' CG1' HD13 ' A' ' 21' ' ' LEU . 10.3 t -68.5 -52.25 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 14' ' ' LYS . 40.5 pt -53.45 -37.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -72.14 -34.91 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -68.37 -40.8 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.284 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.413 HD13 ' CG1' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -73.1 -42.4 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -65.14 -49.48 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -59.95 -30.29 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.27 157.66 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.715 0.293 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 p -58.92 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.16 94.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.2 mt -68.34 -45.63 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.4 tp -59.04 -40.67 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 m -59.2 -45.39 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.96 -47.81 70.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.86 -41.86 92.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -38.21 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.068 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -58.4 -45.68 87.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.082 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.832 0.349 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.6 mt -63.0 -40.99 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -60.64 -46.29 90.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.12 -31.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.23 -50.31 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -75.02 -33.2 61.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.585 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.496 ' O ' HG21 ' A' ' 65' ' ' ILE . 7.4 t -69.7 -31.55 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 t -74.87 -37.08 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.496 HG21 ' O ' ' A' ' 62' ' ' VAL . 14.5 tt -72.72 -44.44 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.839 -179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -53.8 -35.14 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 111.051 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -75.41 -45.36 39.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.293 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 m -74.08 -50.17 20.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.878 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -64.14 -49.07 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.68 -179.031 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -79.13 -39.28 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.581 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.775 0.322 . . . . 0.0 110.709 -179.616 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.771 0.32 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -55.73 -34.87 65.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -42.55 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -52.12 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -57.45 -48.29 79.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -64.29 -41.48 96.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.735 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.2 t -65.22 -52.37 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 19' ' ' GLN . 49.6 pt -55.32 -36.01 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mt-30 -72.28 -31.65 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.12 -39.41 60.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.373 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -73.07 -51.05 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -47.36 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 t -60.11 -36.11 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.77 166.46 7.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.778 0.323 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.6 p -57.47 -60.44 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.88 96.48 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.66 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -64.5 -46.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.94 -40.5 80.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.14 82.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.0 -32.83 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -45.35 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.0 -39.95 87.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -74.0 -37.67 64.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -48.04 83.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.3 mt -60.17 -45.35 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -46.21 91.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.676 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -67.71 -36.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.72 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.32 -45.82 92.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -34.0 64.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' O ' HG21 ' A' ' 65' ' ' ILE . 10.3 t -72.3 -32.0 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -71.23 -39.51 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.0 110.677 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -74.85 -33.03 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.32 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.476 HG21 ' O ' ' A' ' 62' ' ' VAL . 15.3 tt -76.16 -42.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.709 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.452 HD13 HD13 ' A' ' 21' ' ' LEU . 27.6 pt -58.53 -34.81 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -71.96 -50.54 28.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.431 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -42.79 59.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.612 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -49.09 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.765 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -82.95 -40.2 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.45 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 67' ' ' SER . 3.2 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -54.97 -39.35 68.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -40.18 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -75.09 -52.14 11.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.6 -44.27 96.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.88 -43.66 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 11.0 t -64.7 -52.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 19' ' ' GLN . 43.6 pt -54.24 -37.27 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 111.313 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' N ' HG13 ' A' ' 18' ' ' ILE . 5.3 mt-30 -72.12 -31.24 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 1.9 m-85 -75.1 -40.46 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.447 HD13 HD11 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -73.08 -37.86 66.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 0.0 110.664 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.2 p -67.8 -49.92 59.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -67.15 -42.43 84.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -142.65 165.63 26.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.2 p -59.24 -56.7 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.35 81.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.476 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -72.51 -42.03 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.59 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.04 -45.62 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -42.9 95.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -48.14 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -55.91 -38.53 70.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.9 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -48.13 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.429 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.943 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.856 0.36 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mt -65.71 -41.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -46.15 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 t -67.11 -32.4 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.82 -48.3 74.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.643 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -74.99 -32.04 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 65' ' ' ILE . 8.1 t -74.52 -31.81 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -71.14 -40.02 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.85 -32.87 62.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 62' ' ' VAL . 15.9 tt -76.1 -44.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.711 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.447 HD11 HD13 ' A' ' 21' ' ' LEU . 32.9 pt -53.8 -34.91 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -46.8 32.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.321 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -74.25 -50.1 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.916 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.63 -49.14 72.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -80.16 -39.66 28.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.653 0.263 . . . . 0.0 111.574 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.678 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.726 0.298 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -54.87 -37.02 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -41.33 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.59 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -75.11 -52.06 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.744 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -43.35 88.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 20' ' ' TYR . 13.5 tpp180 -66.45 -43.37 85.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.748 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 12.8 t -65.27 -52.37 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 pt -54.76 -37.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.246 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.14 -31.03 65.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 16' ' ' ARG . 3.7 m-85 -74.46 -39.53 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.472 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -47.39 44.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.789 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 m -59.59 -49.97 75.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.016 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.59 -40.85 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -156.49 160.32 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.6 p -59.06 -57.57 12.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.47 -32.99 79.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.432 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG21 HD13 ' A' ' 34' ' ' ILE . 39.1 mt -74.3 -45.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.87 -38.58 86.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.14 92.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -64.03 -39.79 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.09 -48.08 54.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.77 -40.95 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.14 -31.88 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -64.31 -48.05 77.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.791 0.329 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.92 -43.75 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -60.18 -46.03 91.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.734 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.14 -31.97 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.41 -48.95 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.775 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.464 ' O ' HG21 ' A' ' 65' ' ' ILE . 7.3 t -64.45 -31.63 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -69.53 -37.3 77.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.921 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -74.82 -35.34 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.464 HG21 ' O ' ' A' ' 62' ' ' VAL . 11.0 tt -75.96 -44.23 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.931 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.4 pt -53.8 -34.69 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.275 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 p -75.09 -46.01 37.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.266 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -74.09 -50.29 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.651 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -61.53 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.387 -179.428 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -81.53 -55.2 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.182 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.868 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.747 0.308 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 3.9 mptt -57.34 -41.89 80.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.031 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -39.27 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -74.87 -51.7 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.737 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.89 -44.16 97.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -64.97 -43.18 93.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 7.3 t -66.22 -52.41 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 pt -53.87 -37.21 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 111.157 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.24 -32.29 66.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -38.27 67.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.11 -42.29 63.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -62.94 -49.96 72.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -60.56 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -173.59 159.9 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -59.09 -57.6 12.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.64 -32.19 68.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.22 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -75.8 -45.08 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.86 -43.62 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.82 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -38.5 64.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.19 -38.79 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.75 -42.61 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -74.09 -31.6 62.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.269 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -63.33 -48.0 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 179.833 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.839 0.352 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mt -66.26 -37.81 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.76 -45.05 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.73 -34.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.54 -48.59 80.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -35.73 65.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.478 ' O ' HG21 ' A' ' 65' ' ' ILE . 19.3 t -69.83 -31.75 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -71.08 -41.24 70.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -32.61 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.291 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 62' ' ' VAL . 14.1 tt -76.04 -43.29 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.752 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.9 pt -55.89 -35.97 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 27.1 t -75.18 -43.89 49.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -73.96 -50.1 21.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.432 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.3 -49.09 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -51.82 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.725 0.298 . . . . 0.0 111.461 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 67' ' ' SER . 4.8 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -58.43 -34.29 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -40.1 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -73.44 -52.05 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.689 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.52 -43.52 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.43 -39.83 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.9 t -68.45 -52.3 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 19' ' ' GLN . 36.4 pt -53.56 -40.1 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.41 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mm-40 -72.34 -31.02 65.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.4 -39.75 70.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.416 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -47.25 46.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.799 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -59.7 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -60.82 -31.28 70.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.14 154.85 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.761 0.315 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 p -55.86 -53.05 61.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.74 -34.09 87.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.2 mt -74.26 -40.12 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.29 -43.11 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -62.18 -50.39 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -67.0 -48.08 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.63 -38.08 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.97 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -48.18 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.009 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.791 0.329 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mt -66.41 -40.91 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -62.67 -44.83 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.786 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.74 -36.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.81 -54.06 47.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.34 -31.71 72.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 65' ' ' ILE . 4.4 t -76.52 -31.64 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.992 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.52 -38.11 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.8 t -74.84 -35.1 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 62' ' ' VAL . 11.2 tt -74.8 -43.32 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.773 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 31.6 pt -57.06 -34.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.413 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -49.33 29.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.751 0.31 . . . . 0.0 111.235 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -74.29 -35.99 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -49.38 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 3.5 mptt -86.21 -26.68 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.596 0.236 . . . . 0.0 111.399 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 ttt-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -36.26 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.28 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -43.11 79.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.399 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -72.3 -49.08 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -48.18 82.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.493 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -63.2 -40.29 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.922 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.404 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.5 t -66.18 -52.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.059 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 19' ' ' GLN . 46.0 pt -54.0 -37.7 35.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.4 mt-30 -72.28 -31.3 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.417 ' CZ ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -73.79 -39.96 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.33 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 HD12 HD12 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -73.07 -50.03 25.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.2 m -56.87 -49.14 76.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -61.09 -30.16 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.95 161.79 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.869 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.345 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 p -62.03 -55.8 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.25 -35.7 79.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.406 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -78.06 -38.06 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.7 -47.2 61.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.38 84.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -41.93 98.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -70.55 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.54 -44.23 93.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.01 -34.85 64.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -63.18 -44.12 96.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD22 ' CZ ' ' A' ' 20' ' ' TYR . 3.9 pp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.852 0.358 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.3 -33.05 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.726 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -46.14 76.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -63.06 -38.75 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.769 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.17 -46.79 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -75.15 -36.89 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.699 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 65' ' ' ILE . 14.7 t -66.44 -31.91 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -71.25 -41.82 69.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -74.92 -32.24 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 62' ' ' VAL . 14.9 tt -76.16 -42.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.416 HD12 HD12 ' A' ' 21' ' ' LEU . 18.7 pt -55.26 -34.75 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 111.437 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.46 -50.89 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.319 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.7 t -73.6 -50.06 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.422 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.16 -49.12 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -83.51 -55.08 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.034 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -54.94 -42.11 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -42.01 79.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -75.09 -52.14 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.031 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.06 98.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -42.0 88.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 12.2 t -67.15 -52.23 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 19' ' ' GLN . 39.3 pt -54.17 -38.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 111.196 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.411 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.6 mt-30 -72.26 -31.28 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CE2' HD13 ' A' ' 42' ' ' LEU . 1.1 m-85 -72.27 -40.4 67.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.382 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -42.18 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 110.745 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.9 m -65.28 -50.01 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -62.36 -41.08 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -152.6 164.15 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.4 p -58.6 -57.17 14.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.05 -32.53 80.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.4 mt -76.1 -40.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.2 -44.92 86.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.811 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.03 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -71.09 -34.48 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.761 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -43.33 35.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.0 -40.29 92.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.12 -38.87 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -58.18 -48.11 81.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD13 ' CE2' ' A' ' 20' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.22 -39.52 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.42 -46.09 87.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.25 -33.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -63.51 -47.73 80.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -75.04 -35.01 61.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.784 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.478 ' O ' HG22 ' A' ' 65' ' ' ILE . 14.5 t -69.93 -31.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -69.81 -40.26 76.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -74.89 -34.22 62.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 62' ' ' VAL . 15.3 tt -74.77 -44.77 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.891 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -53.85 -34.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -45.83 39.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -50.23 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.603 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 3.5 mm-40 -61.67 -49.16 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.299 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -80.02 -54.99 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.731 0.3 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -37.57 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -42.89 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -74.51 -52.12 12.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -59.87 -45.36 92.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.209 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -40.72 92.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 7.0 t -67.1 -52.39 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 19' ' ' GLN . 40.2 pt -54.65 -38.18 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' N ' HG13 ' A' ' 18' ' ' ILE . 1.9 mt-30 -72.26 -30.98 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -40.85 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.302 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -70.06 -34.38 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.754 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -50.04 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -34.51 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -168.68 161.51 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.431 HG22 ' CD2' ' A' ' 63' ' ' PHE . 23.1 p -54.55 -55.22 31.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.81 90.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mt -72.42 -39.01 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -48.99 67.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.41 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.264 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.4 m -57.96 -49.69 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.79 -41.78 97.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.31 -44.11 97.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.2 -29.92 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.07 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -48.1 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.11 -43.3 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.62 -36.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.32 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.659 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.04 -30.95 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.765 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.474 ' O ' HG21 ' A' ' 65' ' ' ILE . 12.6 t -71.23 -31.54 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CD2' HG22 ' A' ' 32' ' ' THR . 74.6 t80 -69.71 -41.39 75.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.796 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 t -74.8 -33.14 62.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.474 HG21 ' O ' ' A' ' 62' ' ' VAL . 13.1 tt -75.98 -44.07 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.794 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.408 HD13 HD12 ' A' ' 21' ' ' LEU . 24.3 pt -53.74 -34.67 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -74.14 -47.1 38.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -50.33 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.83 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -60.36 -49.17 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.684 0.278 . . . . 0.0 111.41 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -78.62 -49.89 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -94.01 151.68 39.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.26 -165.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.589 2.193 . . . . 0.0 112.148 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -101.16 105.88 41.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.89 -44.29 13.55 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.508 2.139 . . . . 0.0 112.207 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.98 -26.17 1.44 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.428 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 m -100.11 125.56 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.74 129.32 56.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.3 t 68.03 -69.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.251 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -165.92 55.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.96 -30.81 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -39.21 68.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -41.33 77.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -75.09 -52.02 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.98 -44.85 91.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.39 -44.59 90.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 10.9 t -64.75 -52.43 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.3 pt -54.46 -36.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -72.23 -32.72 66.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.409 ' CE2' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.29 -39.0 65.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.378 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.0 -44.28 61.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.661 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -59.22 -46.81 87.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.8 p -63.57 -36.39 83.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -173.41 168.87 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -35.16 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.77 31.31 20.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.96 162.12 9.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -90.53 101.23 13.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 57.26 59.59 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.88 116.57 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.73 -175.89 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -58.02 -57.28 13.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.24 -33.22 85.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.0 mt -73.09 -47.98 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.17 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -64.36 -32.36 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.23 -48.0 31.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.99 -38.58 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 5.6 pt20 -74.02 -36.24 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -62.65 -48.08 80.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 1.8 pp -70.47 -32.05 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 6.3 m-85 -115.86 52.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.749 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 -29.9 69.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.8 p -76.0 -31.96 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -99.76 -67.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -72.92 -35.83 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.118 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.27 89.65 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -122.94 -163.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.816 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -96.13 38.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.52 70.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.724 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -67.07 -43.06 83.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.159 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -73.18 -48.07 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.25 -50.04 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 40' ' ' GLN . 32.1 t80 -58.35 -38.63 77.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -43.14 98.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.811 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mt -64.3 -40.8 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.56 -46.17 91.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -66.56 -33.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.76 -46.22 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -33.22 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 65' ' ' ILE . 17.2 t -71.16 -31.56 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.984 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -69.67 -39.79 76.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.389 . . . . 0.0 110.715 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -74.72 -35.52 62.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.294 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 62' ' ' VAL . 14.6 tt -73.74 -41.8 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.968 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 30.5 pt -58.27 -34.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.2 t -74.99 -47.29 29.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.268 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.4 t -74.34 -39.66 62.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.954 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -74.92 -49.75 19.14 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.4 mptp? -86.47 -49.1 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 111.243 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.94 85.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.94 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.01 -44.75 7.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.752 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 59.58 106.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.845 0.355 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.28 153.4 37.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.44 0.27 10.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.672 2.248 . . . . 0.0 112.798 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -57.42 135.0 81.75 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.28 -168.57 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.479 2.119 . . . . 0.0 112.327 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.48 -105.25 0.45 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -98.57 153.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.235 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -60.46 -178.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.759 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -59.92 97.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 t0 59.47 57.52 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -60.58 -30.93 70.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.001 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -38.54 71.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -38.57 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.692 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -50.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.758 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.54 -44.82 96.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.88 -42.98 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 8.7 t -66.1 -52.39 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.2 pt -54.57 -36.51 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -72.27 -32.68 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -37.23 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.553 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.05 -39.74 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 t -63.43 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 -42.13 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -157.39 154.97 29.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -31.62 64.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 62.55 46.16 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.36 12.9 7.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 62.4 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.709 0.29 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -105.68 46.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.029 0.442 . . . . 0.0 110.778 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -58.39 117.67 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.246 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -175.4 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p -61.37 -57.01 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.5 -33.83 86.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.439 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.85 -46.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.48 -48.27 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.89 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.347 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -50.88 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.91 -40.93 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 tp -61.59 -48.26 81.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -74.16 -29.97 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -66.15 -48.11 71.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 2.9 pp -69.71 -31.62 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 3.6 m-85 -111.43 44.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.784 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 p -58.19 -30.08 66.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.66 -43.62 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.256 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -83.15 -59.69 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -63.16 -62.17 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.17 -139.69 25.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.57 110.05 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -122.72 -43.35 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -144.8 96.73 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.767 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -54.05 -52.74 59.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.266 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.81 -47.95 83.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.67 73.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.18 -36.3 70.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.088 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -66.94 -43.5 83.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.81 -40.44 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.36 -46.22 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.99 -34.89 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.27 -46.7 85.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -74.13 -35.4 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.488 ' O ' HG21 ' A' ' 65' ' ' ILE . 7.7 t -69.72 -31.64 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -71.15 -39.48 71.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.838 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.78 -33.46 62.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.488 HG21 ' O ' ' A' ' 62' ' ' VAL . 16.8 tt -75.07 -46.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.65 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 32.2 pt -53.89 -36.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.672 0.272 . . . . 0.0 111.245 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -50.41 62.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -50.04 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.542 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 16.6 mm-40 -55.23 -49.28 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.656 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 3.7 mptp? -84.49 -53.77 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.987 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 60.58 -178.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.1 mt -123.82 98.0 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -129.08 31.51 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.887 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.823 0.344 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -85.42 148.55 49.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.52 164.82 34.46 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.561 2.174 . . . . 0.0 112.196 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.422 ' CB ' ' HD3' ' A' ' 5' ' ' PRO . 4.2 mtt180 -82.81 -51.6 0.69 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 4' ' ' ARG . 17.0 Cg_exo -66.93 80.33 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.588 2.192 . . . . 0.0 112.154 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.18 127.24 3.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -99.58 173.41 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.53 100.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 t 67.63 -71.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.2 64.94 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.969 0.414 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -30.43 71.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -31.8 57.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.874 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -46.22 84.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 0.0 110.626 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -72.4 -52.0 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -56.99 -46.76 82.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.345 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.54 -39.44 91.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 19.7 t -67.69 -52.26 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 19' ' ' GLN . 41.3 pt -54.07 -38.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.1 mt-30 -72.29 -31.2 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.007 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.35 -40.75 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.284 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.13 -47.04 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.798 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 t -57.03 -49.69 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -60.63 -31.95 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -177.22 167.7 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -58.81 -36.76 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 60.1 29.81 19.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.37 149.78 6.03 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.561 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -77.28 100.97 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 60.23 53.05 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 p -58.83 111.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -84.95 -179.86 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.6 p -58.46 -59.11 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.79 -32.47 74.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.421 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.6 mt -73.04 -41.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -45.2 85.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.65 78.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.251 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -66.75 -42.94 85.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.87 -46.7 56.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.73 -38.87 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 7.1 mt-30 -74.09 -41.83 61.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -58.66 -48.1 82.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.152 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 1.3 pp -70.13 -33.31 71.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.46 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 5.2 m-85 -115.26 53.32 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.891 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.5 p -65.87 -43.78 87.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.94 -38.22 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.92 -43.45 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -105.73 -65.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.95 -95.55 1.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.457 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -157.16 -75.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.636 0.255 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 60.54 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.0 103.5 9.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.774 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.76 -40.07 88.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -74.04 -47.75 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.71 79.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.283 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CE2' ' HG3' ' A' ' 40' ' ' GLN . 14.0 t80 -59.16 -41.45 88.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.828 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -59.02 -43.19 91.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.675 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.6 mt -67.88 -34.7 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -46.24 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.9 t -70.06 -33.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.679 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.79 -44.56 93.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.432 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -39.09 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.515 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 65' ' ' ILE . 7.4 t -64.06 -32.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -71.59 -40.78 69.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.969 0.414 . . . . 0.0 110.467 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 p -74.76 -32.18 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.364 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' VAL . 15.1 tt -76.11 -42.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.68 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 23.2 pt -57.47 -34.64 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 111.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -50.57 32.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.251 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -44.57 52.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.83 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.67 -49.54 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.3 mptp? -86.37 -49.76 7.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.727 0.298 . . . . 0.0 111.179 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 61.13 155.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.82 83.73 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.4 pttt 43.67 56.4 4.53 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.381 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.864 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.775 0.322 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -81.65 138.88 47.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.53 54.68 5.24 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.633 2.222 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 58.19 86.35 0.16 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.3 -167.79 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.568 2.178 . . . . 0.0 112.406 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.93 -111.1 3.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.9 t 61.66 114.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.418 ' CD2' HG22 ' A' ' 9' ' ' VAL . 37.0 t80 -89.68 -75.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 8' ' ' PHE . 22.0 t -150.42 -56.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.7 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.33 16.43 24.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -30.58 69.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -37.09 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.84 -41.31 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 110.661 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.6 ttpm? -74.71 -46.92 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.868 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -46.71 84.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.667 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 21' ' ' LEU . 15.4 t -66.08 -52.26 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 19' ' ' GLN . 46.1 pt -54.58 -37.91 40.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 111.261 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.1 mm100 -72.28 -31.03 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -42.39 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.272 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.414 HD13 ' CG1' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -73.15 -41.01 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -65.57 -48.66 71.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -67.47 -42.16 83.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -145.37 165.21 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -71.65 -25.45 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m 63.9 38.85 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.29 -11.93 57.0 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.855 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 70.14 -66.54 0.27 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.799 0.333 . . . . 0.0 110.795 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -85.34 65.58 9.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.5 p -118.37 107.92 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.49 -168.13 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -61.97 -53.23 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -33.18 84.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.46 -46.3 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.53 -42.83 93.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.12 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 m -66.31 -40.82 90.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.66 -48.16 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -59.08 -34.0 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -37.59 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -63.54 -48.09 78.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -68.07 -33.14 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 7.9 m-85 -119.44 47.71 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.747 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -66.18 -36.42 83.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.0 m -76.06 -30.89 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.45 -68.55 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -71.95 -45.45 61.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.054 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -55.87 110.21 1.81 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.576 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -120.9 -69.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -177.47 -33.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -83.59 86.35 7.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 111.034 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -67.18 -46.72 73.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -56.49 -48.12 77.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 51' ' ' LYS . . . -61.41 -50.01 74.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -60.3 -36.15 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.685 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -62.66 -44.26 96.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.651 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mt -62.47 -38.67 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.41 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.87 -35.02 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.38 -48.63 77.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.658 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -70.96 -36.73 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 65' ' ' ILE . 8.7 t -69.19 -31.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -70.86 -39.45 72.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.904 0.383 . . . . 0.0 110.779 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 p -74.83 -33.56 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.356 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 62' ' ' VAL . 16.3 tt -76.15 -42.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.8 pt -57.21 -34.75 46.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.285 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -51.9 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -50.0 21.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.431 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.32 -49.16 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.564 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -86.07 -55.04 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.305 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.58 44.24 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.4 mt 63.71 128.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -87.32 84.69 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.872 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.771 0.32 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.98 153.41 44.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.86 -165.68 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.68 2.253 . . . . 0.0 112.275 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.92 157.22 2.91 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.55 155.88 6.91 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.589 2.192 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.24 111.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.7 m -61.11 159.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -93.48 82.6 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.1 t 68.73 -68.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.212 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.79 28.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -60.78 -30.78 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -54.89 -37.86 66.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -42.99 79.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -74.28 -46.87 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -63.1 -50.02 72.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.363 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -63.25 -41.33 99.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.3 t -64.66 -52.27 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.005 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 19' ' ' GLN . 47.1 pt -55.75 -34.99 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.244 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.2 -32.44 66.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.425 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.4 m-85 -74.45 -40.55 61.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD13 HD12 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -73.08 -40.57 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -66.11 -49.36 67.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -67.22 -43.08 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -141.06 161.17 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -71.29 -31.64 67.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.3 p 40.74 46.41 2.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.614 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.89 103.43 2.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -59.32 -30.53 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.57 31.0 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.3 107.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.89 -173.87 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.0 p -59.64 -53.8 53.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.18 -36.15 92.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.83 -42.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.41 -42.26 83.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.27 -48.76 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -63.7 -37.19 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -72.28 -46.0 57.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.06 -39.42 82.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -74.13 -36.81 64.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -61.95 -48.02 82.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -70.86 -34.41 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.469 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 6.8 m-85 -117.46 50.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.4 t -65.49 -31.4 72.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -76.08 -35.87 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.27 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.1 -66.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.68 -48.98 65.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.7 96.99 0.23 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.637 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.74 -70.08 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -151.01 -175.06 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.777 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.98 67.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -50.78 61.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.81 -48.05 67.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -43.7 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.41 -41.32 84.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.769 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -62.25 -43.87 97.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.764 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.31 -43.26 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.2 t -65.19 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.38 -46.4 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.99 -41.3 59.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.456 ' O ' HG21 ' A' ' 65' ' ' ILE . 14.2 t -61.09 -31.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -71.1 -42.45 69.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 0.0 110.77 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.8 m -74.71 -31.66 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.486 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.456 HG21 ' O ' ' A' ' 62' ' ' VAL . 15.3 tt -76.12 -44.8 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.929 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 HD13 ' A' ' 21' ' ' LEU . 23.6 pt -53.91 -34.7 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 111.247 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -49.72 33.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.21 -50.26 19.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.038 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.66 -49.51 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.787 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.6 mptp? -86.24 -55.01 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 61.1 157.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.13 146.93 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.22 171.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.2 p30 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.953 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -84.7 145.94 45.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.02 61.18 4.76 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.575 2.183 . . . . 0.0 112.364 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' CB ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -88.04 -52.37 0.39 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 4' ' ' ARG . 32.7 Cg_exo -61.34 -59.02 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.497 2.131 . . . . 0.0 112.213 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.41 53.91 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.6 m -90.64 160.62 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -149.68 92.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.771 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.8 t 68.9 -67.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -170.04 41.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -61.07 -30.99 70.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.88 -35.23 63.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -41.24 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.727 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -74.16 -50.72 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.37 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -62.28 -42.23 99.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 7.1 t -65.53 -52.53 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.46 -34.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.84 0.352 . . . . 0.0 111.167 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -72.12 -34.05 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.432 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.7 m-85 -75.01 -39.52 61.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -70.71 -47.9 57.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -62.35 -45.89 91.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -64.73 -32.73 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -166.81 160.81 14.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -37.75 87.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 t 60.34 80.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.08 -141.35 15.49 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.4 -70.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -113.38 46.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.81 111.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -177.15 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.993 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.1 p -59.4 -57.43 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.29 -36.33 92.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.45 HG23 HD12 ' A' ' 34' ' ' ILE . 40.5 mt -67.29 -40.3 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 tp -67.65 -39.49 84.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.11 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.269 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -67.56 -39.58 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -68.82 -48.09 64.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD11 ' CD2' ' A' ' 20' ' ' TYR . 3.1 tp -58.84 -37.99 77.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' HG3' ' CE1' ' A' ' 55' ' ' PHE . 10.0 mt-30 -74.1 -38.11 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.11 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -71.86 -34.09 68.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.444 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 6.0 m-85 -114.3 43.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.95 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -60.62 -40.47 92.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.0 m -73.83 -42.6 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -41.13 88.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -98.17 -80.82 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.769 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.78 87.24 0.01 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.749 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -137.41 137.22 38.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.995 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -24.28 67.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.995 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -63.09 79.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.987 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -52.61 39.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -70.53 -47.44 60.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.97 77.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.167 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 40' ' ' GLN . 30.2 t80 -60.17 -39.25 85.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -62.37 -44.07 97.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.764 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.56 -40.26 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.728 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -45.97 92.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.19 -34.94 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.27 -49.39 77.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.603 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' ILE . 13.6 t -70.75 -31.58 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -71.07 -42.23 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 0.0 110.73 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -74.77 -31.59 61.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.477 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 62' ' ' VAL . 14.5 tt -76.15 -41.82 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.86 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 21' ' ' LEU . 30.7 pt -57.49 -34.77 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 1.8 p -75.04 -48.65 22.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.54 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -73.85 -39.19 64.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.621 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.05 -49.09 20.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.69 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -84.96 -47.91 9.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.456 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' SER . 0.8 OUTLIER 65.99 73.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 110.792 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.59 -168.54 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.786 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -164.51 -44.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.939 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.811 0.339 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -69.99 148.37 96.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.4 0.09 10.24 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.575 2.183 . . . . 0.0 112.853 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.56 133.87 93.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.815 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.15 -44.05 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.501 2.134 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.77 -95.53 0.24 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.556 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.1 t 63.94 132.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -137.0 -52.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 m -56.14 -28.11 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.351 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.63 -45.64 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.068 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -67.34 -39.73 85.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -35.91 68.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -41.84 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 18' ' ' ILE . 24.4 ttpt -73.19 -52.14 15.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -47.47 85.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.454 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HD3' ' CE2' ' A' ' 43' ' ' TYR . 1.7 tpm_? -64.82 -39.94 94.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 12.8 t -68.66 -52.4 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 14' ' ' LYS . 31.8 pt -54.02 -38.61 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -32.43 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 1.4 m-85 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.467 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -71.89 -48.54 45.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.808 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.8 m -57.72 -38.18 74.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 -33.08 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -167.63 151.77 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -59.08 -39.87 83.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.6 t 59.44 71.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.04 142.5 11.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.416 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.41 -32.41 74.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -155.46 53.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.795 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.27 109.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -171.32 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 p -59.81 -55.61 32.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.91 92.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.16 -43.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.95 -50.82 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.403 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -59.0 -46.73 87.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.24 -39.19 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.75 -48.42 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.09 -30.05 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -45.71 70.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 2.4 pp -75.99 -35.22 59.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.989 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' HD3' ' A' ' 16' ' ' ARG . 1.4 m-85 -104.54 43.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.825 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -30.14 65.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.0 m -74.71 -32.07 28.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.05 -56.2 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -83.45 -73.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.12 -116.95 5.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -158.52 30.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.744 0.307 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -86.7 135.61 33.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HB3' ' CB ' ' A' ' 54' ' ' ALA . 6.1 mmtm 60.36 88.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -67.13 -59.88 3.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.037 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -65.54 -46.65 78.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 51' ' ' LYS . . . -57.29 -47.65 80.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.204 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -58.87 -38.86 79.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -61.3 -41.19 96.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.685 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.8 mt -66.22 -37.2 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -63.78 -46.08 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.17 -37.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.029 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.16 -47.37 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -32.4 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.706 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' ILE . 7.3 t -73.77 -31.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -71.04 -41.21 71.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 110.676 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.5 p -74.89 -32.47 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.431 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' VAL . 11.4 tt -76.15 -43.18 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.8 pt -54.02 -34.8 27.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.851 0.357 . . . . 0.0 111.557 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -75.05 -50.8 15.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.573 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -74.37 -50.12 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.075 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -64.81 -49.56 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.08 -53.72 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.688 0.28 . . . . 0.0 111.214 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 45.9 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.192 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.03 144.43 39.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? 61.35 178.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.892 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 147.02 35.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.96 96.8 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.567 2.178 . . . . 0.0 112.39 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.73 87.92 0.13 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.51 159.26 6.6 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.535 2.157 . . . . 0.0 112.269 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.36 61.43 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.19 64.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.906 0.384 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -134.29 109.61 8.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.9 t 67.76 -70.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.232 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -154.98 31.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -59.38 -30.9 68.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -39.38 69.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD22 ' CE1' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -56.58 -38.73 72.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.821 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -75.16 -51.96 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.752 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -65.96 -45.85 80.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.777 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 10.4 t -64.57 -52.28 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.3 pt -54.62 -37.85 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.373 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -72.15 -30.89 65.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.58 -39.85 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.13 -46.09 53.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 110.708 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -60.31 -35.28 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -163.46 155.59 17.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -32.47 74.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.0 t 58.3 40.54 24.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.37 25.95 3.89 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.22 -68.64 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.76 0.314 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -137.26 102.17 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.826 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.04 132.81 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -90.39 174.16 7.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -59.97 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.92 85.04 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.61 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.8 mt -71.8 -46.94 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 111.18 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.49 -43.41 89.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.09 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -46.71 88.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.13 -47.04 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.46 -39.56 84.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 2.0 tt0 -74.21 -35.44 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -76.1 -36.2 59.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.466 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 6.0 m-85 -115.15 49.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -50.08 65.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.84 -31.0 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.35 -29.34 57.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.531 ' CD2' ' CE1' ' A' ' 55' ' ' PHE . 20.2 m-85 -118.01 -69.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -50.63 94.41 0.01 OUTLIER Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.676 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -139.44 84.91 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.007 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.79 36.96 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -177.86 62.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.428 . . . . 0.0 110.96 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -39.99 86.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.11 -41.34 86.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.89 -37.47 66.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 71.3 t80 -68.48 -33.82 74.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -68.57 -33.85 74.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.721 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.0 mt -72.53 -53.04 20.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -58.07 -46.06 86.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.95 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.3 p -67.48 -32.84 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.649 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -62.82 -48.14 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -31.45 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.605 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' O ' HG21 ' A' ' 65' ' ' ILE . 14.8 t -66.29 -31.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -66.31 -38.97 88.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 -36.65 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 62' ' ' VAL . 13.8 tt -74.85 -43.09 46.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.984 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.0 pt -54.41 -40.29 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 t -75.22 -39.64 59.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.266 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -49.04 25.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.601 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.15 -49.12 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.526 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -81.14 -55.06 5.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.232 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 60.91 173.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.8 tp -157.87 111.09 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -159.94 115.0 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.897 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 143.94 35.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.47 116.23 4.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.547 2.165 . . . . 0.0 112.448 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 58.64 74.41 0.61 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.82 172.8 15.6 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.592 2.194 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.44 -173.84 42.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.548 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.6 m -109.72 -178.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -84.52 -77.02 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.998 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.6 p -111.98 59.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t0 58.17 45.54 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -30.78 65.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -34.99 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD23 ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -57.18 -42.53 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.719 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -51.97 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.01 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' NE ' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -63.82 -42.11 97.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG12 HD11 ' A' ' 66' ' ' ILE . 11.6 t -65.27 -52.44 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 19' ' ' GLN . 49.2 pt -54.62 -36.33 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 18' ' ' ILE . 4.1 mt-30 -72.3 -31.56 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.01 -39.49 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.2 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD11 HD11 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -73.05 -45.25 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.815 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 m -59.94 -50.09 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 t -61.55 -30.94 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.97 162.27 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -63.47 -40.59 97.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 59.57 85.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.76 143.12 12.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.426 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -59.59 -49.39 77.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -149.18 89.28 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 p -90.02 113.38 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.53 179.38 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -58.68 -57.86 11.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.31 88.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.21 -43.81 74.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.2 -41.84 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.54 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -48.32 78.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.93 -48.04 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.29 -41.4 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.04 -34.5 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -48.28 82.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -70.92 -27.4 63.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.459 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 10.2 m-85 -117.76 52.1 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 110.756 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.2 p -63.91 -29.8 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.7 p -73.61 -32.6 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.416 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -104.61 -65.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' TYR . 3.6 m-85 -62.47 -28.69 70.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.324 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -56.37 103.41 0.26 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.601 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -124.45 178.43 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -83.73 -31.4 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.56 82.64 7.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -66.2 -47.84 72.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -64.66 -48.03 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.0 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -58.77 -40.61 84.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -42.87 95.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.725 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 mt -61.75 -41.05 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.4 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.15 -46.84 88.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -33.83 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 65' ' ' ILE . 8.0 t -66.55 -31.55 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -71.1 -41.28 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.66 -31.7 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.493 HG21 ' O ' ' A' ' 62' ' ' VAL . 14.7 tt -75.67 -46.32 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.637 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 28.4 pt -53.88 -36.97 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 0.0 111.257 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -48.35 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.776 0.322 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -74.27 -50.11 20.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.653 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 6.6 mt-10 -57.99 -49.46 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.821 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.4 mptp? -82.71 -44.3 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 111.223 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 63.43 149.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.88 137.64 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.8 97.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.995 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.782 0.325 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -99.89 139.68 20.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.11 1.69 9.05 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.641 2.227 . . . . 0.0 112.817 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -138.14 96.5 10.12 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.963 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.52 136.54 33.88 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.449 2.099 . . . . 0.0 112.32 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.55 131.97 1.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.08 158.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 61.51 177.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.2 t 64.55 29.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.11 81.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -68.94 -30.93 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -39.02 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -41.66 78.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.03 -52.1 11.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.846 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.94 -47.23 85.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.012 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.61 -52.41 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 19' ' ' GLN . 49.8 pt -55.08 -35.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' N ' HG13 ' A' ' 18' ' ' ILE . 3.0 mt-30 -72.22 -32.38 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.32 -39.64 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD12 HD12 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -73.03 -46.98 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.795 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -58.86 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -177.45 157.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -39.05 82.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.96 51.69 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.43 25.34 4.38 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.608 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mttm 62.73 -79.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.755 0.312 . . . . 0.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -122.92 117.07 24.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.818 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.41 ' O ' ' CZ ' ' A' ' 63' ' ' PHE . 5.1 t -105.45 135.09 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.213 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.56 168.56 9.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 p -54.81 -52.09 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.66 -34.38 88.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.003 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.9 mp -77.31 -43.91 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -43.91 84.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.44 74.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.55 -45.85 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.28 -48.02 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.41 -40.8 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -74.07 -37.5 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -58.3 -48.18 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -73.56 -30.1 62.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CD2' HD12 ' A' ' 42' ' ' LEU . 4.6 m-85 -113.2 42.95 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.808 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 p -60.06 -31.86 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.1 -33.41 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.17 -66.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -71.9 -41.68 67.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.87 64.67 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -175.39 37.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -165.29 -168.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -54.1 109.15 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 ttp-105 -67.16 -49.36 65.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -57.25 -47.78 80.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.95 91.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.35 -42.79 82.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -60.53 -44.51 96.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.53 -39.15 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.55 -36.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -61.58 -47.71 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -75.02 -33.88 61.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' ILE . 10.4 t -72.13 -31.82 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.41 ' CZ ' ' O ' ' A' ' 30' ' ' VAL . 87.2 t80 -71.15 -40.05 71.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 0.0 110.653 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -74.8 -32.85 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 62' ' ' VAL . 16.0 tt -76.08 -43.47 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 HD12 ' A' ' 21' ' ' LEU . 35.5 pt -55.48 -34.79 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -49.23 32.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.99 -50.12 21.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.688 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -81.48 -48.65 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.737 0.303 . . . . 0.0 111.358 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 66.8 148.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.765 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.74 152.87 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.03 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.97 113.11 22.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.918 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.727 0.298 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.56 147.75 47.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.59 134.81 24.94 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.577 2.185 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 5' ' ' PRO . 5.6 ttp180 -61.78 -61.03 8.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 37.4 Cg_endo -65.97 156.02 66.56 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.486 2.124 . . . . 0.0 112.224 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.9 -29.35 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.673 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.0 m -59.79 -25.67 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.424 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 10.9 p90 -140.73 -168.29 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 11.0 p 46.28 28.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.805 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 173.52 -35.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.787 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -64.89 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -35.55 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.89 -41.46 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -74.51 -51.54 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.33 -47.26 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NE ' ' CE2' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -64.33 -41.64 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' CG1' HD12 ' A' ' 21' ' ' LEU . 6.9 t -65.97 -52.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.045 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.0 -36.09 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -72.27 -32.61 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -39.46 66.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.306 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.14 -47.99 39.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.811 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -58.43 -50.01 75.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -62.39 -37.63 86.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.41 151.54 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -39.19 78.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.89 44.97 12.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.77 28.18 5.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.534 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.47 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.323 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -129.5 87.54 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 t -62.95 155.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -104.6 171.79 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 p -61.4 -61.38 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.51 81.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.0 mt -74.43 -47.2 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.68 -48.14 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.38 -52.08 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.341 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -58.25 -49.41 77.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.027 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.4 -50.71 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -69.44 -29.95 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -67.68 -47.94 68.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.064 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 2.7 pp -75.0 -30.14 61.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 4.8 m-85 -109.83 44.4 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.816 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -31.39 69.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.7 -43.03 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -53.94 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -85.35 -64.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.14 166.42 31.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -87.92 79.38 8.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -113.42 -66.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -105.79 88.7 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -67.04 -44.32 80.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -74.03 -48.12 32.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.271 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -59.16 -41.49 88.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -60.39 -45.27 94.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.34 -39.1 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.33 -46.04 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.88 -31.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.04 -50.64 69.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -33.26 61.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.458 ' O ' HG22 ' A' ' 65' ' ' ILE . 3.6 t -70.45 -31.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -71.17 -37.43 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.9 m -74.79 -33.99 62.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.254 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 62' ' ' VAL . 12.2 tt -76.17 -43.01 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.791 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 36.8 pt -56.63 -36.76 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 0.0 111.433 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.73 -49.67 44.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.375 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -38.55 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.879 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -49.71 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -86.44 -53.07 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 0.0 111.136 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.87 155.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.54 160.05 20.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.67 -80.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.948 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.836 0.351 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 149.59 45.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.94 -167.88 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.558 2.172 . . . . 0.0 112.319 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.36 60.58 5.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.5 142.83 45.63 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.511 2.141 . . . . 0.0 112.279 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.52 131.01 2.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.25 82.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -114.38 78.6 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 p -178.59 -44.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -110.3 -28.53 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -31.86 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.02 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -38.33 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.33 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.2 ttpm? -74.69 -52.08 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -61.0 -46.27 91.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.76 -40.75 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.413 ' CG1' HD13 ' A' ' 21' ' ' LEU . 10.3 t -68.5 -52.25 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 14' ' ' LYS . 40.5 pt -53.45 -37.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -72.14 -34.91 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -68.37 -40.8 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.284 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD13 ' CG1' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -73.1 -42.4 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -65.14 -49.48 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -59.95 -30.29 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.27 157.66 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -65.2 -32.79 74.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.5 t 60.03 39.28 20.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.63 43.62 0.62 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.474 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mttm 62.84 -80.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.668 0.27 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -134.63 109.89 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.755 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.405 ' O ' ' CE1' ' A' ' 63' ' ' PHE . 1.8 t -85.91 123.85 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.05 176.93 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 p -58.92 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.16 94.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.2 mt -68.34 -45.63 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.4 tp -59.04 -40.67 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 m -59.2 -45.39 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.96 -47.81 70.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.86 -41.86 92.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -38.21 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.068 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -58.4 -45.68 87.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.082 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 3.2 pp -78.09 -35.85 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.466 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 3.6 m-85 -110.55 46.53 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.772 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.1 p -61.91 -50.04 73.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.8 m -68.01 -34.12 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.191 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.75 -71.82 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' CG ' ' CE1' ' A' ' 55' ' ' PHE . 8.1 m-85 -70.62 -52.87 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.65 149.16 37.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -173.84 -66.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -144.31 -72.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 12.5 pttp -60.15 88.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -67.16 -53.18 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -58.55 -38.72 78.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.282 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . . . -53.23 -42.73 66.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.262 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' CE1' ' CG ' ' A' ' 47' ' ' TYR . 34.1 t80 -59.36 -41.57 89.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.816 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.47 -43.98 96.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.616 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.6 mt -63.0 -40.99 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -60.64 -46.29 90.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.12 -31.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.23 -50.31 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -75.02 -33.2 61.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.585 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.496 ' O ' HG21 ' A' ' 65' ' ' ILE . 7.4 t -69.7 -31.55 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' A' ' 30' ' ' VAL . 65.9 t80 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 t -74.87 -37.08 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.496 HG21 ' O ' ' A' ' 62' ' ' VAL . 14.5 tt -72.72 -44.44 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.839 -179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -53.8 -35.14 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 111.051 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -75.41 -45.36 39.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.293 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 m -74.08 -50.17 20.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.878 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -64.14 -49.07 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.68 -179.031 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -79.13 -39.28 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.581 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 61.32 163.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.775 0.322 . . . . 0.0 110.709 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.7 91.94 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.72 160.86 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.899 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.899 0.381 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.41 143.17 27.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.7 -169.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.504 2.136 . . . . 0.0 112.37 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.32 108.12 0.78 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.88 127.36 16.84 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.374 2.049 . . . . 0.0 112.32 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.65 69.8 2.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.638 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.91 -73.29 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.35 163.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.977 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.07 -29.71 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.81 55.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.713 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -56.44 -30.86 63.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -55.73 -34.87 65.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -42.55 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -52.12 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -57.45 -48.29 79.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -64.29 -41.48 96.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.735 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.2 t -65.22 -52.37 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 19' ' ' GLN . 49.6 pt -55.32 -36.01 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mt-30 -72.28 -31.65 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.12 -39.41 60.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.373 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -73.07 -51.05 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -47.36 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 t -60.11 -36.11 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.77 166.46 7.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -70.69 -43.74 68.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t 60.93 54.04 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.03 29.66 2.52 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.44 -67.98 0.19 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -148.91 115.18 5.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.681 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -90.96 154.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.56 176.93 5.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.6 p -57.47 -60.44 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.88 96.48 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.66 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -64.5 -46.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.94 -40.5 80.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.14 82.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.0 -32.83 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -45.35 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.0 -39.95 87.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 11.4 pt20 -74.0 -37.67 64.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -48.04 83.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 3.1 pp -72.2 -34.14 68.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 2.3 m-85 -108.53 43.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.762 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -30.42 65.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.47 -31.03 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -93.99 -61.37 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -78.69 -51.81 9.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.3 -110.05 3.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.38 33.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.18 114.32 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 54' ' ' ALA . 6.1 mmpt? 57.88 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -46.1 75.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.806 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -74.22 -48.1 31.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.618 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 51' ' ' LYS . . . -53.54 -50.16 66.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.734 0.302 . . . . 0.0 111.377 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 40' ' ' GLN . 14.0 t80 -60.38 -35.77 76.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.822 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -67.18 -42.56 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.3 mt -60.17 -45.35 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -46.21 91.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.676 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -67.71 -36.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.72 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.32 -45.82 92.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -34.0 64.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' O ' HG21 ' A' ' 65' ' ' ILE . 10.3 t -72.3 -32.0 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -71.23 -39.51 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.0 110.677 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -74.85 -33.03 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.32 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.476 HG21 ' O ' ' A' ' 62' ' ' VAL . 15.3 tt -76.16 -42.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.709 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.452 HD13 HD13 ' A' ' 21' ' ' LEU . 27.6 pt -58.53 -34.81 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -71.96 -50.54 28.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.431 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -42.79 59.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.612 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -49.09 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.765 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -82.95 -40.2 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.45 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 67' ' ' SER . 3.2 mm-40 67.19 72.25 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 mt -87.21 141.3 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.21 -43.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.87 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.73 147.93 37.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 137.94 31.78 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.517 2.144 . . . . 0.0 112.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.13 151.35 17.48 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -172.26 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.504 2.136 . . . . 0.0 112.255 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.22 -162.73 30.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.551 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.16 149.0 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.36 -62.29 1.52 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -179.97 -39.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.66 22.84 2.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.701 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.01 -30.93 27.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.215 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -54.97 -39.35 68.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -40.18 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -75.09 -52.14 11.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.6 -44.27 96.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HD3' ' CE2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -64.88 -43.66 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 11.0 t -64.7 -52.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 19' ' ' GLN . 43.6 pt -54.24 -37.27 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 111.313 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' N ' HG13 ' A' ' 18' ' ' ILE . 5.3 mt-30 -72.12 -31.24 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 1.9 m-85 -75.1 -40.46 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.447 HD13 HD11 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -73.08 -37.86 66.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 0.0 110.664 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.2 p -67.8 -49.92 59.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -67.15 -42.43 84.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -142.65 165.63 26.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -71.67 -28.56 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.9 t 62.18 48.51 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.7 -177.13 37.08 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 121.02 44.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 61.04 36.49 18.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.74 85.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -174.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.2 p -59.24 -56.7 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.35 81.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.476 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -72.51 -42.03 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.59 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.04 -45.62 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -42.9 95.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -48.14 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -55.91 -38.53 70.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.9 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -48.13 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -72.98 -35.13 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.943 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.47 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 9.5 m-85 -120.37 54.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.938 0.399 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -36.63 82.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 p -76.09 -32.37 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.233 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.02 -36.77 19.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.318 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -111.76 -52.01 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.256 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -51.25 102.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.719 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -65.88 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -177.16 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 83.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -42.33 85.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -70.9 -48.02 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.046 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.74 77.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -58.26 -38.69 77.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -64.57 -40.63 95.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mt -65.71 -41.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -46.15 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 t -67.11 -32.4 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.82 -48.3 74.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.643 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -74.99 -32.04 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 65' ' ' ILE . 8.1 t -74.52 -31.81 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -71.14 -40.02 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.85 -32.87 62.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 62' ' ' VAL . 15.9 tt -76.1 -44.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.711 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.447 HD11 HD13 ' A' ' 21' ' ' LEU . 32.9 pt -53.8 -34.91 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -46.8 32.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.321 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -74.25 -50.1 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.916 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.63 -49.14 72.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -80.16 -39.66 28.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.653 0.263 . . . . 0.0 111.574 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 66.51 75.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.678 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.47 38.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.92 154.07 18.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.856 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -93.5 139.01 22.74 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.49 172.12 16.81 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 112.399 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.501 ' N ' ' HD2' ' A' ' 5' ' ' PRO . 45.7 ttp85 -67.13 -55.11 16.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 37.1 Cg_endo -65.5 131.52 28.22 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.226 1.95 . . . . 0.0 112.176 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -96.13 157.59 21.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.1 t -106.02 -21.79 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 111.235 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 63.07 -82.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t -155.17 -46.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 110.644 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.08 21.49 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.862 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -30.69 66.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -54.87 -37.02 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -41.33 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.59 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -75.11 -52.06 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.744 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -43.35 88.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 20' ' ' TYR . 13.5 tpp180 -66.45 -43.37 85.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.748 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 12.8 t -65.27 -52.37 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 pt -54.76 -37.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.246 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.14 -31.03 65.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 16' ' ' ARG . 3.7 m-85 -74.46 -39.53 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.472 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -47.39 44.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.789 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 m -59.59 -49.97 75.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.016 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.59 -40.85 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -156.49 160.32 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -47.83 82.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.91 48.54 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.68 -8.26 8.81 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.985 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm 69.97 -66.42 0.27 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.807 0.337 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.9 40.46 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 p -56.74 118.99 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.18 -176.13 5.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.6 p -59.06 -57.57 12.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.47 -32.99 79.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.432 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG21 HD13 ' A' ' 34' ' ' ILE . 39.1 mt -74.3 -45.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.87 -38.58 86.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.14 92.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -64.03 -39.79 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.09 -48.08 54.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 7.7 tp -60.77 -40.95 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.14 -31.88 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -64.31 -48.05 77.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -74.07 -32.99 63.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 7.6 m-85 -118.61 49.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -50.07 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 m -66.85 -31.02 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.21 -30.4 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' CD2' ' CE1' ' A' ' 55' ' ' PHE . 25.1 m-85 -113.84 -74.29 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.6 90.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.603 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -166.72 -43.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.08 -65.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -122.37 95.27 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -51.95 48.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -58.08 -42.55 85.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.01 -34.88 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 31.4 t80 -63.69 -42.78 97.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -61.41 -46.06 91.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.92 -43.75 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -60.18 -46.03 91.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.734 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.14 -31.97 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.41 -48.95 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.775 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.464 ' O ' HG21 ' A' ' 65' ' ' ILE . 7.3 t -64.45 -31.63 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -69.53 -37.3 77.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.921 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -74.82 -35.34 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.464 HG21 ' O ' ' A' ' 62' ' ' VAL . 11.0 tt -75.96 -44.23 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.931 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.4 pt -53.8 -34.69 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.275 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 p -75.09 -46.01 37.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.266 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -74.09 -50.29 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.651 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -61.53 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.387 -179.428 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -81.53 -55.2 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.182 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 62.65 146.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 mt -156.3 29.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -95.34 137.53 34.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.884 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -98.94 138.8 20.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -83.67 53.15 4.03 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.664 2.242 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -128.43 86.84 56.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.25 157.17 60.27 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.577 2.184 . . . . 0.0 112.226 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.58 113.1 1.91 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.97 -39.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 111.192 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.72 -76.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.025 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 m -98.37 26.33 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.294 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.36 -26.82 8.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -30.92 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.286 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 3.9 mptt -57.34 -41.89 80.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.031 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD21 ' CE1' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -56.54 -39.27 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -74.87 -51.7 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.737 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.89 -44.16 97.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' HD3' ' CE2' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -64.97 -43.18 93.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 7.3 t -66.22 -52.41 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 pt -53.87 -37.21 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 111.157 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.24 -32.29 66.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -38.27 67.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.11 -42.29 63.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -62.94 -49.96 72.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -60.56 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -173.59 159.9 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -59.36 -33.75 71.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 t 58.62 30.73 20.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.86 144.61 5.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.417 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 96.56 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 60.97 54.26 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.31 132.1 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.032 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.7 178.34 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -59.09 -57.6 12.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.64 -32.19 68.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.22 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -75.8 -45.08 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.86 -43.62 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.82 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -38.5 64.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.19 -38.79 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.75 -42.61 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 1.3 pp0? -74.09 -31.6 62.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.269 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -63.33 -48.0 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 2.1 pp -73.22 -34.2 65.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 3.5 m-85 -112.82 45.26 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.732 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -47.4 86.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.089 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.6 -30.9 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.281 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.83 -73.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -63.83 -59.57 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.22 85.52 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.6 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.24 -66.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.974 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -127.02 159.54 33.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 pttm 43.26 84.7 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.503 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.8 ttm-85 -66.94 -52.45 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -57.74 -39.67 77.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.16 -41.86 72.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.214 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 40' ' ' GLN . 50.1 t80 -59.93 -41.75 92.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -59.68 -46.03 90.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.67 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mt -66.26 -37.81 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.76 -45.05 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.73 -34.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.54 -48.59 80.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -35.73 65.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.478 ' O ' HG21 ' A' ' 65' ' ' ILE . 19.3 t -69.83 -31.75 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -71.08 -41.24 70.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -32.61 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.291 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 62' ' ' VAL . 14.1 tt -76.04 -43.29 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.752 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.9 pt -55.89 -35.97 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 27.1 t -75.18 -43.89 49.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -73.96 -50.1 21.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.432 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.3 -49.09 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -51.82 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.725 0.298 . . . . 0.0 111.461 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 67' ' ' SER . 4.8 mt-10 66.27 123.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.53 -59.06 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.34 -70.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.9 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 144.26 28.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.48 93.44 0.92 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.561 2.174 . . . . 0.0 112.413 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -160.58 84.54 1.97 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.31 -60.47 0.74 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.639 2.226 . . . . 0.0 112.269 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.85 111.98 0.62 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.1 68.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.983 0.42 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -137.63 29.68 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.27 -67.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -143.02 17.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -69.12 -31.49 70.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.795 0.331 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -58.43 -34.29 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -56.91 -40.1 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -73.44 -52.05 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.689 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.52 -43.52 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.43 -39.83 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.9 t -68.45 -52.3 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 19' ' ' GLN . 36.4 pt -53.56 -40.1 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mm-40 -72.34 -31.02 65.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.4 -39.75 70.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.416 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -47.25 46.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.799 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -59.7 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -60.82 -31.28 70.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.14 154.85 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -61.58 -33.39 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.7 t 60.59 31.34 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.63 -142.32 12.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -134.77 -56.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.23 39.98 3.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.33 92.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -78.14 -172.37 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 p -55.86 -53.05 61.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.74 -34.09 87.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.2 mt -74.26 -40.12 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.29 -43.11 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -62.18 -50.39 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -67.0 -48.08 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.63 -38.08 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.97 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -48.18 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 1.9 pp -70.87 -32.21 69.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 4.1 m-85 -113.47 41.79 2.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.828 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 t -60.54 -35.96 77.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.13 -30.81 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -89.76 -69.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CG ' ' CE1' ' A' ' 55' ' ' PHE . 9.2 m-85 -78.86 -42.92 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.245 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -49.78 96.35 0.01 OUTLIER Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.749 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.1 -173.08 2.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -32.51 72.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -80.73 67.2 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -39.97 85.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.12 -35.7 81.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.14 83.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.503 ' CE1' ' CG ' ' A' ' 47' ' ' TYR . 21.2 t80 -59.77 -36.17 76.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -63.67 -42.86 97.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mt -66.41 -40.91 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -62.67 -44.83 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.786 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.74 -36.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.81 -54.06 47.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.34 -31.71 72.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 65' ' ' ILE . 4.4 t -76.52 -31.64 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.992 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.52 -38.11 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.8 t -74.84 -35.1 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 62' ' ' VAL . 11.2 tt -74.8 -43.32 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.773 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 31.6 pt -57.06 -34.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.413 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -49.33 29.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.751 0.31 . . . . 0.0 111.235 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -74.29 -35.99 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -49.38 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 3.5 mptt -86.21 -26.68 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.596 0.236 . . . . 0.0 111.399 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 63.19 79.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -120.9 29.74 7.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.74 38.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.916 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.781 0.324 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -84.52 146.48 47.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.69 142.97 36.79 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.555 2.17 . . . . 0.0 112.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -86.56 112.66 48.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.43 112.27 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.453 2.102 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.94 -130.58 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 m -71.7 150.14 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -162.12 -68.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.8 m -110.07 -24.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.83 21.46 7.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.211 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 ttt-85 -69.05 -30.75 69.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -36.26 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.28 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -43.11 79.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.399 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -72.3 -49.08 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -48.18 82.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.493 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -63.2 -40.29 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.922 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.5 t -66.18 -52.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.059 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 19' ' ' GLN . 46.0 pt -54.0 -37.7 35.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.4 mt-30 -72.28 -31.3 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.417 ' CZ ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -73.79 -39.96 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.33 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 HD12 HD12 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -73.07 -50.03 25.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.2 m -56.87 -49.14 76.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -61.09 -30.16 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.95 161.79 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -64.15 -33.21 75.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.35 31.8 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.84 147.91 5.75 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.554 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 112.16 10.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 59.46 45.84 13.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.5 p -58.41 115.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -96.51 -173.07 2.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 p -62.03 -55.8 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.25 -35.7 79.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.406 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -78.06 -38.06 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.7 -47.2 61.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.38 84.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -41.93 98.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -70.55 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.54 -44.23 93.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' NE2' ' CD1' ' A' ' 55' ' ' PHE . 3.9 mt-30 -74.01 -34.85 64.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -63.18 -44.12 96.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 3.9 pp -77.18 -35.05 56.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.459 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 2.1 m-85 -107.21 44.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.1 p -61.14 -32.66 72.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.49 -36.67 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.11 -55.86 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -91.19 -61.96 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.05 -118.28 14.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -96.85 40.38 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 87.16 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 54' ' ' ALA . 4.9 mttp 58.41 106.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -67.07 -58.52 4.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -74.12 -47.99 32.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.41 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 51' ' ' LYS . . . -53.7 -49.12 68.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.369 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.448 ' CD1' ' NE2' ' A' ' 40' ' ' GLN . 45.9 t80 -58.29 -46.16 86.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -57.71 -51.34 69.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.733 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.3 -33.05 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.726 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -46.14 76.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -63.06 -38.75 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.769 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.17 -46.79 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -75.15 -36.89 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.699 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 65' ' ' ILE . 14.7 t -66.44 -31.91 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -71.25 -41.82 69.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -74.92 -32.24 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 62' ' ' VAL . 14.9 tt -76.16 -42.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.416 HD12 HD12 ' A' ' 21' ' ' LEU . 18.7 pt -55.26 -34.75 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 111.437 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.46 -50.89 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.319 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.7 t -73.6 -50.06 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.422 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.16 -49.12 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -83.51 -55.08 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.034 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 60.26 112.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 pp -78.38 -43.44 27.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.1 38.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.893 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.769 0.319 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -90.19 150.13 42.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.45 109.95 2.57 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.628 2.219 . . . . 0.0 112.311 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 60.23 64.97 2.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.49 -164.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.611 2.207 . . . . 0.0 112.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.54 -55.69 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.428 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -166.01 40.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -110.06 -31.06 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.0 m -94.33 -22.06 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.419 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.74 12.06 18.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.457 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -69.16 -30.93 69.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -54.94 -42.11 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -42.01 79.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -75.09 -52.14 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.031 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.06 98.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -42.0 88.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 12.2 t -67.15 -52.23 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 19' ' ' GLN . 39.3 pt -54.17 -38.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 111.196 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.411 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.6 mt-30 -72.26 -31.28 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CE2' HD13 ' A' ' 42' ' ' LEU . 1.1 m-85 -72.27 -40.4 67.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.382 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -42.18 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 110.745 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.9 m -65.28 -50.01 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -62.36 -41.08 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -152.6 164.15 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -67.14 -45.64 76.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 58.76 85.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.39 109.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -58.95 127.1 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.755 0.312 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 61.62 41.95 11.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.27 110.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.031 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.35 -175.66 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.4 p -58.6 -57.17 14.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.05 -32.53 80.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.4 mt -76.1 -40.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.2 -44.92 86.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.811 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.03 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -71.09 -34.48 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.761 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -43.33 35.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.0 -40.29 92.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.12 -38.87 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -58.18 -48.11 81.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -71.36 -34.25 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.469 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 8.0 m-85 -118.3 54.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.751 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.0 p -65.47 -46.21 80.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.23 -31.39 50.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -95.21 -72.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.412 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -69.33 -51.58 35.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.369 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.93 63.69 0.7 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.822 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -54.55 2.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -151.87 175.0 12.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt 60.89 74.33 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -50.75 61.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -73.94 -45.77 48.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.25 -41.99 69.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -59.75 -41.78 91.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.727 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -41.29 96.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.77 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.22 -39.52 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.42 -46.09 87.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.25 -33.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -63.51 -47.73 80.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -75.04 -35.01 61.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.784 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.478 ' O ' HG22 ' A' ' 65' ' ' ILE . 14.5 t -69.93 -31.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -69.81 -40.26 76.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -74.89 -34.22 62.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 62' ' ' VAL . 15.3 tt -74.77 -44.77 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.891 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.3 pt -53.85 -34.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -45.83 39.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -50.23 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.603 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 3.5 mm-40 -61.67 -49.16 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.299 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -80.02 -54.99 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 56.91 29.66 16.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.9 177.03 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -156.82 112.47 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.922 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -90.12 159.11 43.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.89 -177.51 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.594 2.196 . . . . 0.0 112.281 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.47 142.19 24.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.82 -168.39 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.562 2.175 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.3 -112.77 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 m -100.25 -179.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -177.02 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 t -93.15 30.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.431 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.2 37.64 29.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -62.99 -30.92 71.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -37.57 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -56.88 -42.89 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -74.51 -52.12 12.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -59.87 -45.36 92.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.209 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -40.72 92.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 7.0 t -67.1 -52.39 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 19' ' ' GLN . 40.2 pt -54.65 -38.18 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' N ' HG13 ' A' ' 18' ' ' ILE . 1.9 mt-30 -72.26 -30.98 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -40.85 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.302 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -70.06 -34.38 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.754 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -50.04 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -34.51 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -168.68 161.51 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -37.11 77.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 t 55.0 72.69 0.46 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.01 120.77 1.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.419 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -65.37 128.19 34.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 60.82 34.56 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.73 92.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -77.22 -175.96 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.826 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.431 HG22 ' CD2' ' A' ' 63' ' ' PHE . 23.1 p -54.55 -55.22 31.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.81 90.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mt -72.42 -39.01 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -48.99 67.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.41 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.264 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.4 m -57.96 -49.69 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.79 -41.78 97.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.31 -44.11 97.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 3.4 pt20 -74.2 -29.92 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.07 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -48.1 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 3.1 pp -73.22 -27.51 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.468 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 4.3 m-85 -112.29 33.07 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.741 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -55.31 -31.26 61.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.2 t -75.99 -31.01 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -91.21 -66.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -77.13 -43.72 33.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.91 89.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.604 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.14 -61.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -151.76 168.02 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mttt 60.42 69.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -67.04 -42.37 84.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -73.85 -37.96 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.57 -45.78 84.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.026 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CE1' HD23 ' A' ' 13' ' ' LEU . 37.6 t80 -60.58 -37.93 82.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -61.57 -42.34 98.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.78 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.11 -43.3 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.62 -36.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.32 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.659 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.04 -30.95 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.765 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.474 ' O ' HG21 ' A' ' 65' ' ' ILE . 12.6 t -71.23 -31.54 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CD2' HG22 ' A' ' 32' ' ' THR . 74.6 t80 -69.71 -41.39 75.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.796 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 t -74.8 -33.14 62.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.474 HG21 ' O ' ' A' ' 62' ' ' VAL . 13.1 tt -75.98 -44.07 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.794 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.408 HD13 HD12 ' A' ' 21' ' ' LEU . 24.3 pt -53.74 -34.67 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -74.14 -47.1 38.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -50.33 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.83 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -60.36 -49.17 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.684 0.278 . . . . 0.0 111.41 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -78.62 -49.89 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.88 159.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.38 -49.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -143.85 167.43 22.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.801 0.334 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -39.21 68.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.741 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.92 -41.33 77.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 66' ' ' ILE . 20.4 ttpt -75.09 -52.02 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.98 -44.85 91.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.39 -44.59 90.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 21' ' ' LEU . 10.9 t -64.75 -52.43 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.851 ' HA ' HD12 ' A' ' 21' ' ' LEU . 43.3 pt -54.46 -36.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.2 mm100 -72.23 -32.72 66.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.442 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.29 -39.0 65.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.378 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.0 -44.28 61.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.661 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -59.22 -46.81 87.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.8 p -63.57 -36.39 83.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -173.41 168.87 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.43 HG22 ' HB3' ' A' ' 63' ' ' PHE . 34.3 p -58.02 -57.28 13.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.24 -33.22 85.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.0 mt -73.09 -47.98 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.463 HD22 ' HD2' ' A' ' 63' ' ' PHE . 52.0 tp -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.691 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -63.4 -51.17 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -64.36 -32.36 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.23 -48.0 31.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.474 ' HA ' HD21 ' A' ' 42' ' ' LEU . 6.6 tp -58.99 -38.58 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -74.02 -36.24 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -62.65 -48.08 80.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD21 ' HA ' ' A' ' 39' ' ' LEU . 1.8 pp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mt -64.3 -40.8 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.56 -46.17 91.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.691 HG21 ' HA ' ' A' ' 36' ' ' ALA . 31.0 t -66.56 -33.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.76 -46.22 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -33.22 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' ILE . 17.2 t -71.16 -31.56 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.984 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HD2' HD22 ' A' ' 35' ' ' LEU . 58.4 t80 -69.67 -39.79 76.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.389 . . . . 0.0 110.715 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -74.72 -35.52 62.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.294 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.6 tt -73.74 -41.8 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.968 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.5 pt -58.27 -34.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.2 t -74.99 -47.29 29.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.268 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.4 t -74.34 -39.66 62.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.954 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -74.92 -49.75 19.14 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.4 mptp? -86.47 -49.1 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 111.243 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.94 -179.825 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.692 0.282 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -38.54 71.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.772 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.79 -38.57 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.692 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -75.04 -50.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.758 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.54 -44.82 96.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.88 -42.98 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 21' ' ' LEU . 8.7 t -66.1 -52.39 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.86 ' HA ' HD12 ' A' ' 21' ' ' LEU . 42.2 pt -54.57 -36.51 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.27 -32.68 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -37.23 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.553 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.05 -39.74 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 t -63.43 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 -42.13 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -157.39 154.97 29.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p -61.37 -57.01 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.5 -33.83 86.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.439 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.85 -46.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 63' ' ' PHE . 39.5 tp -60.48 -48.27 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' CA ' HG11 ' A' ' 59' ' ' VAL . . . -52.14 -49.89 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.347 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -50.88 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.91 -40.93 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 tp -61.59 -48.26 81.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -74.16 -29.97 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -66.15 -48.11 71.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.863 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.81 -40.44 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.36 -46.22 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.585 HG11 ' CA ' ' A' ' 36' ' ' ALA . 26.0 t -69.99 -34.89 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.27 -46.7 85.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -74.13 -35.4 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.774 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.7 t -69.72 -31.64 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.453 ' CD1' HD22 ' A' ' 35' ' ' LEU . 31.4 t80 -71.15 -39.48 71.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.838 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.78 -33.46 62.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.547 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.8 tt -75.07 -46.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.65 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 62' ' ' VAL . 32.2 pt -53.89 -36.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.672 0.272 . . . . 0.0 111.245 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -50.41 62.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -50.04 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.542 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 16.6 mm-40 -55.23 -49.28 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.656 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.769 ' HE3' HG21 ' A' ' 18' ' ' ILE . 3.7 mptp? -84.49 -53.77 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.987 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -31.8 57.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.874 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.694 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -57.63 -46.22 84.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 0.0 110.626 179.568 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 66' ' ' ILE . 21.6 ttpt -72.4 -52.0 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 18' ' ' ILE . 3.9 tt0 -56.99 -46.76 82.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.345 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.54 -39.44 91.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 21' ' ' LEU . 19.7 t -67.69 -52.26 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 21' ' ' LEU . 41.3 pt -54.07 -38.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.1 mt-30 -72.29 -31.2 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.007 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.446 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -72.35 -40.75 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.284 -179.607 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.818 HD11 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.13 -47.04 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.798 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 t -57.03 -49.69 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -60.63 -31.95 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -177.22 167.7 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 67.6 p -58.46 -59.11 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.79 -32.47 74.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.421 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.6 mt -73.04 -41.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -45.2 85.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.65 78.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.251 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -66.75 -42.94 85.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.87 -46.7 56.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HA ' HD21 ' A' ' 42' ' ' LEU . 5.6 tp -56.73 -38.87 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -74.09 -41.83 61.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -58.66 -48.1 82.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.152 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.446 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.3 pp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.797 0.332 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.6 mt -67.88 -34.7 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -46.24 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.9 t -70.06 -33.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.679 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 32' ' ' THR . 27.7 mt-10 -63.79 -44.56 93.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.432 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -39.09 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.515 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.4 t -64.06 -32.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -71.59 -40.78 69.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.969 0.414 . . . . 0.0 110.467 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 p -74.76 -32.18 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.364 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.567 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.1 tt -76.11 -42.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.68 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.757 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.2 pt -57.47 -34.64 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 111.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -50.57 32.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.251 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -44.57 52.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.83 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.67 -49.54 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.3 mptp? -86.37 -49.76 7.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.727 0.298 . . . . 0.0 111.179 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -179.879 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.773 0.321 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.83 -37.09 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.84 -41.31 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 110.661 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.6 ttpm? -74.71 -46.92 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.868 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -63.62 -46.71 84.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.667 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.81 HG12 HD11 ' A' ' 21' ' ' LEU . 15.4 t -66.08 -52.26 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.789 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.1 pt -54.58 -37.91 40.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 111.261 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.441 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.1 mm100 -72.28 -31.03 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -42.39 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.272 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD11 HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -73.15 -41.01 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -65.57 -48.66 71.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -67.47 -42.16 83.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -145.37 165.21 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 63' ' ' PHE . 3.3 p -61.97 -53.23 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -33.18 84.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.46 -46.3 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.53 -42.83 93.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -59.35 -42.12 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 m -66.31 -40.82 90.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.66 -48.16 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.551 ' HA ' HD21 ' A' ' 42' ' ' LEU . 5.5 tp -59.08 -34.0 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -37.59 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -63.54 -48.09 78.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 39' ' ' LEU . 1.1 pp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.9 0.381 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mt -62.47 -38.67 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.41 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' ' 36' ' ' ALA . 25.9 t -68.87 -35.02 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.38 -48.63 77.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.658 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -70.96 -36.73 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.797 ' O ' HG23 ' A' ' 66' ' ' ILE . 8.7 t -69.19 -31.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.472 ' HB3' HG22 ' A' ' 32' ' ' THR . 66.3 t80 -70.86 -39.45 72.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.904 0.383 . . . . 0.0 110.779 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 p -74.83 -33.56 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.356 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.573 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.3 tt -76.15 -42.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.8 pt -57.21 -34.75 46.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.285 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -51.9 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -50.0 21.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.431 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.32 -49.16 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.564 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HE2' HD13 ' A' ' 18' ' ' ILE . 6.8 mmmt -86.07 -55.04 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.305 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -54.89 -37.86 66.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.52 -42.99 79.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -74.28 -46.87 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.418 ' O ' HG12 ' A' ' 18' ' ' ILE . 31.3 tp60 -63.1 -50.02 72.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.363 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -63.25 -41.33 99.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 21' ' ' LEU . 4.3 t -64.66 -52.27 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.005 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.734 ' HA ' HD12 ' A' ' 21' ' ' LEU . 47.1 pt -55.75 -34.99 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.244 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.2 -32.44 66.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.482 ' OH ' HD13 ' A' ' 42' ' ' LEU . 2.4 m-85 -74.45 -40.55 61.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.08 -40.57 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -66.11 -49.36 67.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -67.22 -43.08 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -141.06 161.17 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.806 0.336 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.0 p -59.64 -53.8 53.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.18 -36.15 92.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.83 -42.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.41 -42.26 83.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CA ' HG11 ' A' ' 59' ' ' VAL . . . -59.27 -48.76 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -63.7 -37.19 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -72.28 -46.0 57.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.06 -39.42 82.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -74.13 -36.81 64.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -61.95 -48.02 82.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.482 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.1 pp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.31 -43.26 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG11 ' CA ' ' A' ' 36' ' ' ALA . 26.2 t -65.19 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.38 -46.4 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.99 -41.3 59.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.2 t -61.09 -31.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -71.1 -42.45 69.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 0.0 110.77 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.8 m -74.71 -31.66 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.486 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.587 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -76.12 -44.8 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.929 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.6 pt -53.91 -34.7 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 111.247 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -49.72 33.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.21 -50.26 19.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.038 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.66 -49.51 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.787 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.6 mptp? -86.24 -55.01 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.858 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.88 -35.23 63.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.74 -41.24 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.727 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 18' ' ' ILE . 20.5 ttpt -74.16 -50.72 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -59.37 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -62.28 -42.23 99.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.809 ' CG1' HD11 ' A' ' 21' ' ' LEU . 7.1 t -65.53 -52.53 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.762 HG21 ' HE2' ' A' ' 70' ' ' LYS . 48.0 pt -55.46 -34.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.84 0.352 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' ILE . 88.6 mt-30 -72.12 -34.05 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.516 ' OH ' HD13 ' A' ' 42' ' ' LEU . 3.7 m-85 -75.01 -39.52 61.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.809 HD11 ' CG1' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -70.71 -47.9 57.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -62.35 -45.89 91.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -64.73 -32.73 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -166.81 160.81 14.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.752 0.31 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.1 p -59.4 -57.43 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.29 -36.33 92.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.5 mt -67.29 -40.3 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD21 HG22 ' A' ' 17' ' ' VAL . 30.3 tp -67.65 -39.49 84.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -57.91 -46.11 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -67.56 -39.58 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -68.82 -48.09 64.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 39' ' ' LEU . 3.1 tp -58.84 -37.99 77.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.1 -38.11 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.11 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.516 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.1 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.745 0.307 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.56 -40.26 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.728 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.428 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -60.71 -45.97 92.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.496 HG22 HD11 ' A' ' 13' ' ' LEU . 43.1 t -66.19 -34.94 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.27 -49.39 77.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.603 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 13' ' ' LEU . 13.6 t -70.75 -31.58 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -71.07 -42.23 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 0.0 110.73 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -74.77 -31.59 61.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.477 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.5 tt -76.15 -41.82 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.86 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.7 pt -57.49 -34.77 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 1.8 p -75.04 -48.65 22.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.54 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -73.85 -39.19 64.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.621 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.05 -49.09 20.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.69 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.762 ' HE2' HG21 ' A' ' 18' ' ' ILE . 5.6 mmmt -84.96 -47.91 9.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.456 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 110.792 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.692 0.282 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -35.91 68.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.679 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.85 -41.84 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 18' ' ' ILE . 24.4 ttpt -73.19 -52.14 15.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -59.68 -47.47 85.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.454 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -64.82 -39.94 94.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.799 HG12 HD11 ' A' ' 21' ' ' LEU . 12.8 t -68.66 -52.4 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.768 ' HA ' HD12 ' A' ' 21' ' ' LEU . 31.8 pt -54.02 -38.61 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -32.43 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.467 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.799 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -71.89 -48.54 45.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.808 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.8 m -57.72 -38.18 74.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 -33.08 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -167.63 151.77 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 63' ' ' PHE . 27.7 p -59.81 -55.61 32.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.91 92.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.16 -43.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.544 HD22 ' HD1' ' A' ' 63' ' ' PHE . 12.2 tp -65.95 -50.82 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.403 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -59.0 -46.73 87.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.24 -39.19 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.75 -48.42 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.09 -30.05 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -45.71 70.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.989 -179.859 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.516 HG23 ' HE2' ' A' ' 61' ' ' LYS . 15.8 mt -66.22 -37.2 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' VAL . 63.4 mt-30 -63.78 -46.08 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.62 HG11 ' HB2' ' A' ' 36' ' ' ALA . 21.7 t -71.17 -37.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.029 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.16 -47.37 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HE2' HG23 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -73.75 -32.4 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.706 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.3 t -73.77 -31.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HD1' HD22 ' A' ' 35' ' ' LEU . 63.7 t80 -71.04 -41.21 71.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.5 p -74.89 -32.47 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.431 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.592 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.4 tt -76.15 -43.18 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 62' ' ' VAL . 29.8 pt -54.02 -34.8 27.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.851 0.357 . . . . 0.0 111.557 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -75.05 -50.8 15.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.573 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -74.37 -50.12 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.075 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.583 ' OE1' HD11 ' A' ' 65' ' ' ILE . 4.4 tt0 -64.81 -49.56 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.538 ' HE3' HG21 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -86.08 -53.72 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.688 0.28 . . . . 0.0 111.214 -179.609 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.192 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -39.38 69.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.814 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.58 -38.73 72.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.821 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' ILE . 22.2 ttpt -75.16 -51.96 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.752 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 1.7 tt0 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -65.96 -45.85 80.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.777 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.775 HG12 HD11 ' A' ' 21' ' ' LEU . 10.4 t -64.57 -52.28 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.843 ' HA ' HD12 ' A' ' 21' ' ' LEU . 35.3 pt -54.62 -37.85 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.373 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.5 mm100 -72.15 -30.89 65.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.58 -39.85 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.13 -46.09 53.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 110.708 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -60.31 -35.28 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -163.46 155.59 17.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.539 ' HB2' HD12 ' A' ' 34' ' ' ILE . 5.7 t0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -59.95 -59.97 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.92 85.04 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.61 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 31' ' ' ASP . 38.8 mt -71.8 -46.94 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 111.18 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.49 -43.41 89.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.678 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -59.49 -44.09 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -46.71 88.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.4 t70 -69.13 -47.04 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.46 -39.56 84.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -74.21 -35.44 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 38' ' ' ASP . 1.1 pp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.836 0.351 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.0 mt -72.53 -53.04 20.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.0 pt20 -58.07 -46.06 86.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.95 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' A' ' 36' ' ' ALA . 13.3 p -67.48 -32.84 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.649 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HA ' HG22 ' A' ' 32' ' ' THR . 14.1 mt-10 -62.82 -48.14 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -31.45 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.605 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.814 HG21 ' HB3' ' A' ' 13' ' ' LEU . 14.8 t -66.29 -31.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -66.31 -38.97 88.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 -36.65 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.6 HG22 ' HA ' ' A' ' 62' ' ' VAL . 13.8 tt -74.85 -43.09 46.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.984 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.0 pt -54.41 -40.29 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 66' ' ' ILE . 5.1 t -75.22 -39.64 59.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.266 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -49.04 25.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.601 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.15 -49.12 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.526 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.8 mmtp -81.14 -55.06 5.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.232 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.899 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.698 0.285 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -34.99 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.732 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -57.18 -42.53 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.719 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -74.42 -51.97 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.01 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.11 97.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.835 HG12 HD11 ' A' ' 21' ' ' LEU . 11.6 t -65.27 -52.44 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.755 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.2 pt -54.62 -36.33 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 18' ' ' ILE . 4.1 mt-30 -72.3 -31.56 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.01 -39.49 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.2 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.835 HD11 HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -73.05 -45.25 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.815 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 m -59.94 -50.09 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 t -61.55 -30.94 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.97 162.27 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.888 0.375 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -58.68 -57.86 11.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.31 88.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.21 -43.81 74.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.3 tt -60.2 -41.84 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.597 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -57.42 -49.54 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -48.32 78.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.93 -48.04 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.29 -41.4 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.04 -34.5 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -48.28 82.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.806 0.336 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 mt -61.75 -41.05 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.66 HG22 HD21 ' A' ' 13' ' ' LEU . 23.4 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.15 -46.84 88.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -33.83 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 13' ' ' LEU . 8.0 t -66.55 -31.55 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -71.1 -41.28 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.66 -31.7 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.7 tt -75.67 -46.32 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.637 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 62' ' ' VAL . 28.4 pt -53.88 -36.97 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 0.0 111.257 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -48.35 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.776 0.322 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -74.27 -50.11 20.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.653 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 6.6 mt-10 -57.99 -49.46 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.821 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.4 mptp? -82.71 -44.3 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 111.223 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.891 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -39.02 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.88 -41.66 78.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -75.03 -52.1 11.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.846 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.94 -47.23 85.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.012 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.726 HG12 HD11 ' A' ' 21' ' ' LEU . 4.0 t -65.61 -52.41 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.772 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.8 pt -55.08 -35.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' N ' HG13 ' A' ' 18' ' ' ILE . 3.0 mt-30 -72.22 -32.38 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.32 -39.64 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.03 -46.98 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.795 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -58.86 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -177.45 157.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' CB ' HD13 ' A' ' 34' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.689 0.281 . . . . 0.0 110.539 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 p -54.81 -52.09 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.66 -34.38 88.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.003 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.9 mp -77.31 -43.91 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD12 ' HD1' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -57.57 -43.91 84.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.44 74.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.55 -45.85 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.28 -48.02 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 39' ' ' LEU . 6.7 tp -58.41 -40.8 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -74.07 -37.5 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -58.3 -48.18 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.807 0.336 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.53 -39.15 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.55 -36.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -61.58 -47.71 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -75.02 -33.88 61.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 66' ' ' ILE . 10.4 t -72.13 -31.82 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.441 ' HD1' HD12 ' A' ' 35' ' ' LEU . 87.2 t80 -71.15 -40.05 71.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 0.0 110.653 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -74.8 -32.85 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.0 tt -76.08 -43.47 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 62' ' ' VAL . 35.5 pt -55.48 -34.79 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -49.23 32.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.99 -50.12 21.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.688 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HE2' HD13 ' A' ' 18' ' ' ILE . 1.6 mmmt -81.48 -48.65 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.737 0.303 . . . . 0.0 111.358 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.765 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.719 0.295 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -35.55 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -56.89 -41.46 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.536 ' O ' HG23 ' A' ' 18' ' ' ILE . 15.1 ttpt -74.51 -51.54 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.33 -47.26 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -41.64 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.747 HG12 HD11 ' A' ' 21' ' ' LEU . 6.9 t -65.97 -52.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.045 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.857 ' HA ' HD12 ' A' ' 21' ' ' LEU . 48.0 pt -55.0 -36.09 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 18' ' ' ILE . 10.2 mt-30 -72.27 -32.61 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -39.46 66.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.306 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.14 -47.99 39.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.811 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -58.43 -50.01 75.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -62.39 -37.63 86.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -158.41 151.54 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.729 ' HB2' HD12 ' A' ' 34' ' ' ILE . 2.0 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.803 0.335 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 60' ' ' GLU . 2.8 p -61.4 -61.38 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.51 81.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.729 HD12 ' HB2' ' A' ' 31' ' ' ASP . 35.0 mt -74.43 -47.2 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.68 -48.14 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.588 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -56.38 -52.08 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.341 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -58.25 -49.41 77.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.027 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 39' ' ' LEU . 5.6 tp -57.4 -50.71 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -69.44 -29.95 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -67.68 -47.94 68.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.064 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -179.869 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.839 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.34 -39.1 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.33 -46.04 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 13' ' ' LEU . 22.0 t -66.88 -31.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HA ' HG22 ' A' ' 32' ' ' THR . 1.3 mt-10 -63.04 -50.64 69.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -33.26 61.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.786 ' O ' HG23 ' A' ' 66' ' ' ILE . 3.6 t -70.45 -31.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -71.17 -37.43 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.9 m -74.79 -33.99 62.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.254 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 62' ' ' VAL . 12.2 tt -76.17 -43.01 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.791 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.786 HG23 ' O ' ' A' ' 62' ' ' VAL . 36.8 pt -56.63 -36.76 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 0.0 111.433 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -70.73 -49.67 44.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.375 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -38.55 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.879 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -49.71 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.639 ' HE3' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -86.44 -53.07 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 0.0 111.136 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.768 0.318 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -59.74 -38.33 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.742 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.68 -38.33 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.2 ttpm? -74.69 -52.08 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 18' ' ' ILE . 5.5 tp60 -61.0 -46.27 91.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.1 tpm_? -64.76 -40.75 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.806 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.77 HG12 HD11 ' A' ' 21' ' ' LEU . 10.3 t -68.5 -52.25 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.812 ' HA ' HD12 ' A' ' 21' ' ' LEU . 40.5 pt -53.45 -37.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.417 ' N ' HG13 ' A' ' 18' ' ' ILE . 25.1 mm-40 -72.14 -34.91 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.404 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.7 m-85 -68.37 -40.8 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.284 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -73.1 -42.4 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -65.14 -49.48 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -59.95 -30.29 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.27 157.66 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HB2' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.715 0.293 . . . . 0.0 110.776 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 p -58.92 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.16 94.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 31' ' ' ASP . 37.2 mt -68.34 -45.63 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.426 HD23 ' CG2' ' A' ' 59' ' ' VAL . 29.4 tp -59.04 -40.67 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.711 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 m -59.2 -45.39 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.96 -47.81 70.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.86 -41.86 92.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -38.21 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.068 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -58.4 -45.68 87.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.082 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD13 ' OH ' ' A' ' 20' ' ' TYR . 3.2 pp . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.832 0.349 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.6 mt -63.0 -40.99 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -60.64 -46.29 90.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 36' ' ' ALA . 9.5 p -75.12 -31.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.23 -50.31 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -75.02 -33.2 61.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.585 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.4 t -69.7 -31.55 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 t -74.87 -37.08 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.5 tt -72.72 -44.44 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.839 -179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.3 pt -53.8 -35.14 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 111.051 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -75.41 -45.36 39.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.293 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 m -74.08 -50.17 20.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.878 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -64.14 -49.07 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.68 -179.031 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.657 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.3 mmmp? -79.13 -39.28 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.581 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.775 0.322 . . . . 0.0 110.709 -179.616 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.771 0.32 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -55.73 -34.87 65.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.634 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -57.13 -42.55 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -74.3 -52.12 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -57.45 -48.29 79.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -64.29 -41.48 96.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.735 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.75 HG12 HD11 ' A' ' 21' ' ' LEU . 5.2 t -65.22 -52.37 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.749 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.6 pt -55.32 -36.01 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mt-30 -72.28 -31.65 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.413 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -75.12 -39.41 60.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.373 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.75 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.07 -51.05 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -47.36 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 t -60.11 -36.11 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -170.77 166.46 7.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.779 ' HB2' HD12 ' A' ' 34' ' ' ILE . 1.1 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.778 0.323 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.62 HG22 ' HB3' ' A' ' 63' ' ' PHE . 64.6 p -57.47 -60.44 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.88 96.48 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.66 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 31' ' ' ASP . 54.4 mt -64.5 -46.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.94 -40.5 80.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -57.56 -47.14 82.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.0 -32.83 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -45.35 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' A' ' 39' ' ' LEU . 7.7 tp -60.0 -39.95 87.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -74.0 -37.67 64.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -48.04 83.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.413 HD13 ' OH ' ' A' ' 20' ' ' TYR . 3.1 pp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.3 mt -60.17 -45.35 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -46.21 91.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.676 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.427 HG21 ' HA ' ' A' ' 36' ' ' ALA . 29.8 t -67.71 -36.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.72 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.32 -45.82 92.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -34.0 64.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 66' ' ' ILE . 10.3 t -72.3 -32.0 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HB3' HG22 ' A' ' 32' ' ' THR . 65.5 t80 -71.23 -39.51 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.0 110.677 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -74.85 -33.03 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.32 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -76.16 -42.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.709 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.6 pt -58.53 -34.81 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -71.96 -50.54 28.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.431 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -42.79 59.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.612 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -49.09 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.765 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 18' ' ' ILE . 2.8 mmmt -82.95 -40.2 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.45 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 67' ' ' SER . 3.2 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -54.97 -39.35 68.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.72 -40.18 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 18' ' ' ILE . 11.4 ttpt -75.09 -52.14 11.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.406 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 tp-100 -60.6 -44.27 96.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.88 -43.66 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.849 HG12 HD11 ' A' ' 21' ' ' LEU . 11.0 t -64.7 -52.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' A' ' 21' ' ' LEU . 43.6 pt -54.24 -37.27 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 111.313 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 18' ' ' ILE . 5.3 mt-30 -72.12 -31.24 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.489 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.9 m-85 -75.1 -40.46 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.849 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.08 -37.86 66.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 0.0 110.664 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.2 p -67.8 -49.92 59.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -67.15 -42.43 84.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -142.65 165.63 26.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.543 HG21 ' OE1' ' A' ' 60' ' ' GLU . 68.2 p -59.24 -56.7 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.35 81.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.476 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -72.51 -42.03 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -63.59 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -59.04 -45.62 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -42.9 95.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -71.99 -48.14 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -55.91 -38.53 70.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.9 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -48.13 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.489 HD13 ' OH ' ' A' ' 20' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.943 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.856 0.36 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mt -65.71 -41.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -46.15 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 36' ' ' ALA . 29.1 t -67.11 -32.4 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.543 ' OE1' HG21 ' A' ' 32' ' ' THR . 3.6 mm-40 -64.82 -48.3 74.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.643 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -74.99 -32.04 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' ILE . 8.1 t -74.52 -31.81 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB3' HG22 ' A' ' 32' ' ' THR . 53.1 t80 -71.14 -40.02 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.85 -32.87 62.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.9 tt -76.1 -44.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.711 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' VAL . 32.9 pt -53.8 -34.91 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -46.8 32.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.321 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -74.25 -50.1 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.916 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.63 -49.14 72.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.519 ' HE2' HG21 ' A' ' 18' ' ' ILE . 8.4 mmmt -80.16 -39.66 28.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.653 0.263 . . . . 0.0 111.574 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.678 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.726 0.298 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -54.87 -37.02 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.86 -41.33 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.59 179.764 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 18' ' ' ILE . 14.6 ttpt -75.11 -52.06 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.744 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -43.35 88.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HG3' ' CE2' ' A' ' 20' ' ' TYR . 13.5 tpp180 -66.45 -43.37 85.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.748 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.798 HG12 HD11 ' A' ' 21' ' ' LEU . 12.8 t -65.27 -52.37 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.834 ' HA ' HD12 ' A' ' 21' ' ' LEU . 39.0 pt -54.76 -37.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.246 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.0 mt-30 -72.14 -31.03 65.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.488 ' OH ' HD13 ' A' ' 42' ' ' LEU . 3.7 m-85 -74.46 -39.53 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.472 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -47.39 44.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.789 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 m -59.59 -49.97 75.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.016 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.59 -40.85 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -156.49 160.32 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.6 p -59.06 -57.57 12.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.47 -32.99 79.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.432 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.1 mt -74.3 -45.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.6 tt -60.87 -38.58 86.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.14 92.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -64.03 -39.79 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' HD23 ' A' ' 42' ' ' LEU . 25.0 t70 -71.09 -48.08 54.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.77 -40.95 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.14 -31.88 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -64.31 -48.05 77.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.488 HD13 ' OH ' ' A' ' 20' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.791 0.329 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.92 -43.75 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -60.18 -46.03 91.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.734 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG22 HD11 ' A' ' 13' ' ' LEU . 23.8 t -65.14 -31.97 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.41 -48.95 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.775 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.804 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.3 t -64.45 -31.63 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' HD2' HD12 ' A' ' 35' ' ' LEU . 45.8 t80 -69.53 -37.3 77.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -74.82 -35.34 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.0 tt -75.96 -44.23 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.931 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.804 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.4 pt -53.8 -34.69 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.275 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 p -75.09 -46.01 37.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.266 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -74.09 -50.29 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.651 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -61.53 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.387 -179.428 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HE2' HD13 ' A' ' 18' ' ' ILE . 5.5 mmmt -81.53 -55.2 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.182 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.868 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.747 0.308 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 3.9 mptt -57.34 -41.89 80.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.031 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.783 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.54 -39.27 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 11.4 ttpt -74.87 -51.7 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.737 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.89 -44.16 97.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -64.97 -43.18 93.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.805 HG12 HD11 ' A' ' 21' ' ' LEU . 7.3 t -66.22 -52.41 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.867 ' HA ' HD12 ' A' ' 21' ' ' LEU . 41.7 pt -53.87 -37.21 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 111.157 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.418 ' N ' HG13 ' A' ' 18' ' ' ILE . 22.6 mt-30 -72.24 -32.29 66.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -38.27 67.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.11 -42.29 63.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -62.94 -49.96 72.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -60.56 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -173.59 159.9 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -59.09 -57.6 12.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.64 -32.19 68.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.22 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -75.8 -45.08 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.4 tt -61.86 -43.62 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.82 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -38.5 64.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.19 -38.79 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 39' ' ' LEU . 8.3 tp -65.75 -42.61 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -74.09 -31.6 62.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.269 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -63.33 -48.0 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 179.833 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.839 0.352 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mt -66.26 -37.81 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.76 -45.05 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG22 HD11 ' A' ' 13' ' ' LEU . 38.3 t -67.73 -34.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.54 -48.59 80.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -35.73 65.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 13' ' ' LEU . 19.3 t -69.83 -31.75 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -71.08 -41.24 70.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -32.61 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.291 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.606 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.1 tt -76.04 -43.29 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.752 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 62' ' ' VAL . 28.9 pt -55.89 -35.97 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 27.1 t -75.18 -43.89 49.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -73.96 -50.1 21.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.432 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.3 -49.09 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -51.82 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.725 0.298 . . . . 0.0 111.461 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 67' ' ' SER . 4.8 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -58.43 -34.29 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.543 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.91 -40.1 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 66' ' ' ILE . 10.4 ttpt -73.44 -52.05 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.689 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 1.1 tp-100 -59.52 -43.52 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.43 -39.83 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 21' ' ' LEU . 13.9 t -68.45 -52.3 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 21' ' ' LEU . 36.4 pt -53.56 -40.1 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mm-40 -72.34 -31.02 65.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.4 -39.75 70.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.416 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -47.25 46.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.799 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -59.7 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -60.82 -31.28 70.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.14 154.85 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.761 0.315 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 p -55.86 -53.05 61.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.74 -34.09 87.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.2 mt -74.26 -40.12 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.526 HD23 ' CG1' ' A' ' 59' ' ' VAL . 51.7 tp -63.29 -43.11 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -62.18 -50.39 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -67.0 -48.08 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HA ' HD21 ' A' ' 42' ' ' LEU . 7.9 tp -60.63 -38.08 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.97 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -48.18 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 39' ' ' LEU . 1.9 pp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.791 0.329 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mt -66.41 -40.91 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -62.67 -44.83 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.786 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.526 ' CG1' HD23 ' A' ' 35' ' ' LEU . 25.9 t -68.74 -36.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.81 -54.06 47.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.34 -31.71 72.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.8 ' O ' HG23 ' A' ' 66' ' ' ILE . 4.4 t -76.52 -31.64 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.992 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.52 -38.11 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.8 t -74.84 -35.1 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.2 tt -74.8 -43.32 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.773 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.8 HG23 ' O ' ' A' ' 62' ' ' VAL . 31.6 pt -57.06 -34.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.413 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -49.33 29.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.751 0.31 . . . . 0.0 111.235 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -74.29 -35.99 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -49.38 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 3.5 mptt -86.21 -26.68 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.596 0.236 . . . . 0.0 111.399 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 ttt-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.8 -36.26 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.28 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.722 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.62 -43.11 79.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.399 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CG ' HG22 ' A' ' 66' ' ' ILE . 1.9 ttpm? -72.3 -49.08 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -61.55 -48.18 82.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.493 -179.74 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.9 tpp180 -63.2 -40.29 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.922 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.846 HG12 HD11 ' A' ' 21' ' ' LEU . 13.5 t -66.18 -52.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.059 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.761 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.0 pt -54.0 -37.7 35.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.4 mt-30 -72.28 -31.3 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.681 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -73.79 -39.96 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.33 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.846 HD11 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -50.03 25.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.2 m -56.87 -49.14 76.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -61.09 -30.16 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.95 161.79 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.869 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.345 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 p -62.03 -55.8 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.25 -35.7 79.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.406 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 34' ' ' ILE . 4.7 mp -78.06 -38.06 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.7 -47.2 61.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.625 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -58.46 -47.38 84.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -41.93 98.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.476 ' OD1' HD23 ' A' ' 42' ' ' LEU . 52.7 t0 -70.55 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 39' ' ' LEU . 6.1 tp -59.54 -44.23 93.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.01 -34.85 64.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -63.18 -44.12 96.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.681 HD13 ' OH ' ' A' ' 20' ' ' TYR . 3.9 pp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.852 0.358 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.3 -33.05 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.726 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -46.14 76.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG21 ' CB ' ' A' ' 36' ' ' ALA . 22.3 t -63.06 -38.75 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.769 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.17 -46.79 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -75.15 -36.89 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.699 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.7 t -66.44 -31.91 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 66' ' ' ILE . 16.8 t80 -71.25 -41.82 69.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.706 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -74.92 -32.24 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.9 tt -76.16 -42.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 62' ' ' VAL . 18.7 pt -55.26 -34.75 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 111.437 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.46 -50.89 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.319 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.7 t -73.6 -50.06 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.422 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.16 -49.12 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.605 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.2 mmmp? -83.51 -55.08 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.034 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -54.94 -42.11 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.9 -42.01 79.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 18' ' ' ILE . 3.8 ttpt -75.09 -52.14 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.031 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.06 98.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -42.0 88.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.758 HG12 HD11 ' A' ' 21' ' ' LEU . 12.2 t -67.15 -52.23 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 21' ' ' LEU . 39.3 pt -54.17 -38.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 111.196 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.6 mt-30 -72.26 -31.28 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.754 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.1 m-85 -72.27 -40.4 67.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.382 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -42.18 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 110.745 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.9 m -65.28 -50.01 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -62.36 -41.08 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -152.6 164.15 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.4 p -58.6 -57.17 14.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.05 -32.53 80.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.4 mt -76.1 -40.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.3 tt -65.2 -44.92 86.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.03 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 3.2 m -71.09 -34.48 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.761 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -43.33 35.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.467 ' HA ' HD12 ' A' ' 39' ' ' LEU . 6.3 tp -61.0 -40.29 92.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.12 -38.87 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 37' ' ' SER . 1.4 ttt180 -58.18 -48.11 81.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.754 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.22 -39.52 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.42 -46.09 87.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.25 -33.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -63.51 -47.73 80.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -75.04 -35.01 61.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.784 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.5 t -69.93 -31.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -69.81 -40.26 76.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -74.89 -34.22 62.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.589 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -74.77 -44.77 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.891 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.3 pt -53.85 -34.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.133 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -45.83 39.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -50.23 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.603 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 3.5 mm-40 -61.67 -49.16 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.299 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -80.02 -54.99 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.731 0.3 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -37.57 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.754 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.88 -42.89 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.582 ' HG2' HG22 ' A' ' 66' ' ' ILE . 3.7 ttpt -74.51 -52.12 12.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.988 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -59.87 -45.36 92.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.209 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -40.72 92.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.763 HG12 HD11 ' A' ' 21' ' ' LEU . 7.0 t -67.1 -52.39 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.721 ' HA ' HD12 ' A' ' 21' ' ' LEU . 40.2 pt -54.65 -38.18 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 18' ' ' ILE . 1.9 mt-30 -72.26 -30.98 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -40.85 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.302 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.763 HD11 HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -70.06 -34.38 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.754 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -50.04 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -34.51 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -168.68 161.51 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 63' ' ' PHE . 23.1 p -54.55 -55.22 31.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.81 90.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mt -72.42 -39.01 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -66.78 -48.99 67.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -55.36 -49.41 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.264 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.4 m -57.96 -49.69 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.79 -41.78 97.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.31 -44.11 97.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 41' ' ' ARG . 3.4 pt20 -74.2 -29.92 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.07 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -65.64 -48.1 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.942 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.11 -43.3 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -60.02 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 HD11 ' A' ' 13' ' ' LEU . 38.3 t -67.62 -36.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.32 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.659 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.04 -30.95 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.765 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 66' ' ' ILE . 12.6 t -71.23 -31.54 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HB3' HG22 ' A' ' 32' ' ' THR . 74.6 t80 -69.71 -41.39 75.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.796 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 t -74.8 -33.14 62.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.611 HG22 ' HA ' ' A' ' 62' ' ' VAL . 13.1 tt -75.98 -44.07 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.794 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 62' ' ' VAL . 24.3 pt -53.74 -34.67 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -74.14 -47.1 38.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -50.33 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.83 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.606 ' OE2' HD11 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -60.36 -49.17 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.684 0.278 . . . . 0.0 111.41 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.696 ' HE2' HG21 ' A' ' 18' ' ' ILE . 6.6 mmmt -78.62 -49.89 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.905 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -94.01 151.68 39.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.26 -165.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.589 2.193 . . . . 0.0 112.148 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -101.16 105.88 41.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.89 -44.29 13.55 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.508 2.139 . . . . 0.0 112.207 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.98 -26.17 1.44 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.428 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.804 HG12 ' HB3' ' A' ' 11' ' ' ARG . 12.9 m -100.11 125.56 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.74 129.32 56.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.3 t 68.03 -69.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.251 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -165.92 55.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.804 ' HB3' HG12 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -68.96 -30.81 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.969 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HD2' HG21 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -54.9 -39.21 68.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.741 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.92 -41.33 77.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 66' ' ' ILE . 20.4 ttpt -75.09 -52.02 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.98 -44.85 91.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.39 -44.59 90.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 21' ' ' LEU . 10.9 t -64.75 -52.43 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.851 ' HA ' HD12 ' A' ' 21' ' ' LEU . 43.3 pt -54.46 -36.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.2 mm100 -72.23 -32.72 66.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.442 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.29 -39.0 65.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.378 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.0 -44.28 61.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.661 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -59.22 -46.81 87.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.8 p -63.57 -36.39 83.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.515 HD21 ' H ' ' A' ' 26' ' ' CYS . 9.3 p-10 -173.41 168.87 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -35.16 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' H ' HD21 ' A' ' 24' ' ' ASN . 0.5 OUTLIER 59.77 31.31 20.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.96 162.12 9.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -90.53 101.23 13.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 57.26 59.59 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 30' ' ' VAL . 11.3 p -69.88 116.57 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.544 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -88.73 -175.89 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.43 HG22 ' HB3' ' A' ' 63' ' ' PHE . 34.3 p -58.02 -57.28 13.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.24 -33.22 85.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD12 ' H ' ' A' ' 31' ' ' ASP . 27.0 mt -73.09 -47.98 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' HB2' HG22 ' A' ' 30' ' ' VAL . 52.0 tp -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.691 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -63.4 -51.17 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -64.36 -32.36 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.23 -48.0 31.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.474 ' HA ' HD21 ' A' ' 42' ' ' LEU . 6.6 tp -58.99 -38.58 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 5.6 pt20 -74.02 -36.24 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -62.65 -48.08 80.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 43' ' ' TYR . 1.8 pp -70.47 -32.05 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CG ' HD12 ' A' ' 42' ' ' LEU . 6.3 m-85 -115.86 52.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.749 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 -29.9 69.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.8 p -76.0 -31.96 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -99.76 -67.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -72.92 -35.83 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.118 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.27 89.65 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -122.94 -163.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.816 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -96.13 38.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -133.52 70.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.724 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -67.07 -43.06 83.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.159 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -73.18 -48.07 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -60.25 -50.04 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 59' ' ' VAL . 32.1 t80 -58.35 -38.63 77.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -43.14 98.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.811 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 54' ' ' ALA . 14.4 mt -64.3 -40.8 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.56 -46.17 91.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.691 HG21 ' HA ' ' A' ' 36' ' ' ALA . 31.0 t -66.56 -33.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.76 -46.22 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -33.22 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' ILE . 17.2 t -71.16 -31.56 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.984 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HD2' HD22 ' A' ' 35' ' ' LEU . 58.4 t80 -69.67 -39.79 76.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.389 . . . . 0.0 110.715 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -74.72 -35.52 62.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.294 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.6 tt -73.74 -41.8 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.968 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.5 pt -58.27 -34.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.2 t -74.99 -47.29 29.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.268 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.4 t -74.34 -39.66 62.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.954 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -74.92 -49.75 19.14 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.4 mptp? -86.47 -49.1 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 111.243 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.94 85.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.94 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.01 -44.75 7.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.752 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 59.58 106.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.845 0.355 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.28 153.4 37.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.44 0.27 10.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.672 2.248 . . . . 0.0 112.798 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -57.42 135.0 81.75 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.28 -168.57 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.479 2.119 . . . . 0.0 112.327 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.48 -105.25 0.45 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.622 HG11 ' HZ2' ' A' ' 12' ' ' LYS . 27.5 m -98.57 153.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.235 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -60.46 -178.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.759 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -59.92 97.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 t0 59.47 57.52 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -60.58 -30.93 70.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.001 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.622 ' HZ2' HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -56.38 -38.54 71.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.772 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.79 -38.57 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.692 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -75.04 -50.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.758 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.54 -44.82 96.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.88 -42.98 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 21' ' ' LEU . 8.7 t -66.1 -52.39 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.86 ' HA ' HD12 ' A' ' 21' ' ' LEU . 42.2 pt -54.57 -36.51 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.27 -32.68 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -37.23 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.553 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.05 -39.74 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 t -63.43 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 -42.13 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -157.39 154.97 29.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -31.62 64.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 62.55 46.16 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.36 12.9 7.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 62.4 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.709 0.29 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -105.68 46.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.029 0.442 . . . . 0.0 110.778 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 35' ' ' LEU . 11.3 p -58.39 117.67 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.246 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -175.4 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p -61.37 -57.01 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.5 -33.83 86.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.439 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.85 -46.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.524 ' HB2' HG22 ' A' ' 30' ' ' VAL . 39.5 tp -60.48 -48.27 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' CA ' HG11 ' A' ' 59' ' ' VAL . . . -52.14 -49.89 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.347 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -50.88 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.91 -40.93 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' HE2' ' A' ' 47' ' ' TYR . 9.8 tp -61.59 -48.26 81.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -74.16 -29.97 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -66.15 -48.11 71.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.488 HD12 ' CG ' ' A' ' 43' ' ' TYR . 2.9 pp -69.71 -31.62 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.488 ' CG ' HD12 ' A' ' 42' ' ' LEU . 3.6 m-85 -111.43 44.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.784 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 p -58.19 -30.08 66.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.66 -43.62 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.256 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -83.15 -59.69 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.428 ' HE2' HD23 ' A' ' 39' ' ' LEU . 2.6 m-85 -63.16 -62.17 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.17 -139.69 25.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.57 110.05 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -122.72 -43.35 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.849 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 1.6 tttp -144.8 96.73 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.767 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -54.05 -52.74 59.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.266 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.471 ' OD1' HD11 ' A' ' 57' ' ' ILE . 4.6 t-20 -58.81 -47.95 83.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.849 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -63.19 -49.67 73.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -57.18 -36.3 70.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.088 -179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -66.94 -43.5 83.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.471 HD11 ' OD1' ' A' ' 53' ' ' ASN . 10.7 mt -66.81 -40.44 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.36 -46.22 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 55' ' ' PHE . 26.0 t -69.99 -34.89 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.27 -46.7 85.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -74.13 -35.4 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.774 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.7 t -69.72 -31.64 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.453 ' CD1' HD22 ' A' ' 35' ' ' LEU . 31.4 t80 -71.15 -39.48 71.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.838 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.78 -33.46 62.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.547 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.8 tt -75.07 -46.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.65 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 62' ' ' VAL . 32.2 pt -53.89 -36.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.672 0.272 . . . . 0.0 111.245 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -50.41 62.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -50.04 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.542 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 16.6 mm-40 -55.23 -49.28 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.656 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.769 ' HE3' HG21 ' A' ' 18' ' ' ILE . 3.7 mptp? -84.49 -53.77 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.987 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 60.58 -178.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.1 mt -123.82 98.0 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -129.08 31.51 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.887 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.823 0.344 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -85.42 148.55 49.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.52 164.82 34.46 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.561 2.174 . . . . 0.0 112.196 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' CB ' ' HD3' ' A' ' 5' ' ' PRO . 4.2 mtt180 -82.81 -51.6 0.69 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 4' ' ' ARG . 17.0 Cg_exo -66.93 80.33 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.588 2.192 . . . . 0.0 112.154 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.18 127.24 3.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -99.58 173.41 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.53 100.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 t 67.63 -71.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.2 64.94 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.969 0.414 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -30.43 71.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -31.8 57.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.874 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.694 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -57.63 -46.22 84.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 0.0 110.626 179.568 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 66' ' ' ILE . 21.6 ttpt -72.4 -52.0 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 18' ' ' ILE . 3.9 tt0 -56.99 -46.76 82.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.345 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.54 -39.44 91.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 21' ' ' LEU . 19.7 t -67.69 -52.26 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 21' ' ' LEU . 41.3 pt -54.07 -38.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.1 mt-30 -72.29 -31.2 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.007 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.446 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -72.35 -40.75 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.284 -179.607 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.818 HD11 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.13 -47.04 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.798 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 t -57.03 -49.69 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -60.63 -31.95 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -177.22 167.7 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -58.81 -36.76 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 60.1 29.81 19.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.37 149.78 6.03 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.561 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -77.28 100.97 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 60.23 53.05 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 30' ' ' VAL . 10.9 p -58.83 111.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.609 ' H ' HD12 ' A' ' 34' ' ' ILE . 1.3 t0 -84.95 -179.86 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 67.6 p -58.46 -59.11 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.79 -32.47 74.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.421 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.609 HD12 ' H ' ' A' ' 31' ' ' ASP . 31.6 mt -73.04 -41.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -45.2 85.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.65 78.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.251 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -66.75 -42.94 85.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.87 -46.7 56.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HA ' HD21 ' A' ' 42' ' ' LEU . 5.6 tp -56.73 -38.87 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 7.1 mt-30 -74.09 -41.83 61.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -58.66 -48.1 82.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.152 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.3 pp -70.13 -33.31 71.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CD2' HD12 ' A' ' 42' ' ' LEU . 5.2 m-85 -115.26 53.32 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.891 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.5 p -65.87 -43.78 87.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.94 -38.22 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.92 -43.45 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -105.73 -65.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.95 -95.55 1.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.457 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -157.16 -75.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.636 0.255 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 60.54 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.706 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -118.0 103.5 9.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.774 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.76 -40.07 88.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -74.04 -47.75 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.706 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -61.42 -48.71 79.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.283 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 59' ' ' VAL . 14.0 t80 -59.16 -41.45 88.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.828 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -59.02 -43.19 91.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.675 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 54' ' ' ALA . 11.6 mt -67.88 -34.7 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -46.24 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 55' ' ' PHE . 27.9 t -70.06 -33.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.679 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 32' ' ' THR . 27.7 mt-10 -63.79 -44.56 93.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.432 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -39.09 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.515 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.4 t -64.06 -32.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -71.59 -40.78 69.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.969 0.414 . . . . 0.0 110.467 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 p -74.76 -32.18 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.364 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.567 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.1 tt -76.11 -42.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.68 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.757 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.2 pt -57.47 -34.64 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 111.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -50.57 32.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.251 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -44.57 52.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.83 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.67 -49.54 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.3 mptp? -86.37 -49.76 7.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.727 0.298 . . . . 0.0 111.179 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 61.13 155.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.538 HD23 ' HG2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -78.82 83.73 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' HG2' HD23 ' A' ' 72' ' ' LEU . 29.4 pttt 43.67 56.4 4.53 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.381 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.864 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.775 0.322 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -81.65 138.88 47.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.53 54.68 5.24 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.633 2.222 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 58.19 86.35 0.16 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.3 -167.79 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.568 2.178 . . . . 0.0 112.406 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.93 -111.1 3.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.9 t 61.66 114.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -89.68 -75.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.0 t -150.42 -56.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.7 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.33 16.43 24.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -30.58 69.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.83 -37.09 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.84 -41.31 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 110.661 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.6 ttpm? -74.71 -46.92 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.868 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -63.62 -46.71 84.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.667 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.81 HG12 HD11 ' A' ' 21' ' ' LEU . 15.4 t -66.08 -52.26 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.789 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.1 pt -54.58 -37.91 40.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 111.261 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.441 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.1 mm100 -72.28 -31.03 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -42.39 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.272 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD11 HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -73.15 -41.01 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -65.57 -48.66 71.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -67.47 -42.16 83.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -145.37 165.21 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -71.65 -25.45 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m 63.9 38.85 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.29 -11.93 57.0 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.855 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 70.14 -66.54 0.27 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.799 0.333 . . . . 0.0 110.795 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -85.34 65.58 9.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 30' ' ' VAL . 9.5 p -118.37 107.92 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.582 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -87.49 -168.13 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 63' ' ' PHE . 3.3 p -61.97 -53.23 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -33.18 84.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.582 HD12 ' H ' ' A' ' 31' ' ' ASP . 26.6 mt -72.46 -46.3 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB2' HG22 ' A' ' 30' ' ' VAL . 66.2 tp -59.53 -42.83 93.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -59.35 -42.12 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 m -66.31 -40.82 90.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.66 -48.16 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.551 ' HA ' HD21 ' A' ' 42' ' ' LEU . 5.5 tp -59.08 -34.0 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -74.03 -37.59 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -63.54 -48.09 78.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 39' ' ' LEU . 1.1 pp -68.07 -33.14 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.521 ' CD2' HD12 ' A' ' 42' ' ' LEU . 7.9 m-85 -119.44 47.71 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.747 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -66.18 -36.42 83.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.0 m -76.06 -30.89 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.45 -68.55 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -71.95 -45.45 61.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.054 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -55.87 110.21 1.81 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.576 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -120.9 -69.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -177.47 -33.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HD2' ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -83.59 86.35 7.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 111.034 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -67.18 -46.72 73.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -56.49 -48.12 77.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.696 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -61.41 -50.01 74.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.9 t80 -60.3 -36.15 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.685 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -62.66 -44.26 96.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.651 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.7 mt -62.47 -38.67 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -60.41 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' ' 36' ' ' ALA . 25.9 t -68.87 -35.02 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.38 -48.63 77.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.658 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -70.96 -36.73 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.797 ' O ' HG23 ' A' ' 66' ' ' ILE . 8.7 t -69.19 -31.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.472 ' HB3' HG22 ' A' ' 32' ' ' THR . 66.3 t80 -70.86 -39.45 72.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.904 0.383 . . . . 0.0 110.779 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 p -74.83 -33.56 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.356 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.573 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.3 tt -76.15 -42.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.8 pt -57.21 -34.75 46.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.285 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -51.9 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -50.0 21.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.431 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.32 -49.16 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.564 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HE2' HD13 ' A' ' 18' ' ' ILE . 6.8 mmmt -86.07 -55.04 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.305 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.58 44.24 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.4 mt 63.71 128.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -87.32 84.69 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.872 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.771 0.32 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.98 153.41 44.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.86 -165.68 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.68 2.253 . . . . 0.0 112.275 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.92 157.22 2.91 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.55 155.88 6.91 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.589 2.192 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.24 111.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 12' ' ' LYS . 29.7 m -61.11 159.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -93.48 82.6 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.1 t 68.73 -68.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.212 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.79 28.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -60.78 -30.78 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.591 ' HB3' HG11 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -54.89 -37.86 66.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.52 -42.99 79.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -74.28 -46.87 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.418 ' O ' HG12 ' A' ' 18' ' ' ILE . 31.3 tp60 -63.1 -50.02 72.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.363 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -63.25 -41.33 99.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 21' ' ' LEU . 4.3 t -64.66 -52.27 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.005 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.734 ' HA ' HD12 ' A' ' 21' ' ' LEU . 47.1 pt -55.75 -34.99 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.244 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.2 -32.44 66.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.482 ' OH ' HD13 ' A' ' 42' ' ' LEU . 2.4 m-85 -74.45 -40.55 61.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.08 -40.57 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -66.11 -49.36 67.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -67.22 -43.08 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -141.06 161.17 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -71.29 -31.64 67.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.3 p 40.74 46.41 2.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.614 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.89 103.43 2.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -59.32 -30.53 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.57 31.0 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 30' ' ' VAL . 10.9 p -64.3 107.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.642 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -82.89 -173.87 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.0 p -59.64 -53.8 53.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.18 -36.15 92.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.642 HD12 ' H ' ' A' ' 31' ' ' ASP . 34.7 mt -67.83 -42.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.41 -42.26 83.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CA ' HG11 ' A' ' 59' ' ' VAL . . . -59.27 -48.76 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -63.7 -37.19 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -72.28 -46.0 57.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.06 -39.42 82.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -74.13 -36.81 64.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -61.95 -48.02 82.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.526 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -70.86 -34.41 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.526 ' CD2' HD12 ' A' ' 42' ' ' LEU . 6.8 m-85 -117.46 50.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.4 t -65.49 -31.4 72.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -76.08 -35.87 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.27 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.1 -66.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HE2' HD22 ' A' ' 13' ' ' LEU . 4.1 m-85 -67.68 -48.98 65.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.7 96.99 0.23 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.637 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.74 -70.08 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -151.01 -175.06 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.777 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER 59.98 67.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -50.78 61.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.81 -48.05 67.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.852 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -60.38 -43.7 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.641 ' O ' HG23 ' A' ' 59' ' ' VAL . 51.3 t80 -58.41 -41.32 84.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.769 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -62.25 -43.87 97.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.764 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.2 mt -61.31 -43.26 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 55' ' ' PHE . 26.2 t -65.19 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.38 -46.4 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.99 -41.3 59.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.2 t -61.09 -31.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -71.1 -42.45 69.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 0.0 110.77 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.8 m -74.71 -31.66 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.486 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.587 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -76.12 -44.8 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.929 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.6 pt -53.91 -34.7 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 111.247 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -49.72 33.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.21 -50.26 19.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.038 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.66 -49.51 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.787 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.6 mptp? -86.24 -55.01 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 61.1 157.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.13 146.93 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.22 171.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.2 p30 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.953 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -84.7 145.94 45.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.02 61.18 4.76 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.575 2.183 . . . . 0.0 112.364 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' CB ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -88.04 -52.37 0.39 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 4' ' ' ARG . 32.7 Cg_exo -61.34 -59.02 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.497 2.131 . . . . 0.0 112.213 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.41 53.91 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG12 ' CD ' ' A' ' 12' ' ' LYS . 28.6 m -90.64 160.62 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -149.68 92.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.771 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.8 t 68.9 -67.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -170.04 41.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -61.07 -30.99 70.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' CD ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -54.88 -35.23 63.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.74 -41.24 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.727 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 18' ' ' ILE . 20.5 ttpt -74.16 -50.72 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -59.37 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -62.28 -42.23 99.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.809 ' CG1' HD11 ' A' ' 21' ' ' LEU . 7.1 t -65.53 -52.53 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.762 HG21 ' HE2' ' A' ' 70' ' ' LYS . 48.0 pt -55.46 -34.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.84 0.352 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' ILE . 88.6 mt-30 -72.12 -34.05 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.516 ' OH ' HD13 ' A' ' 42' ' ' LEU . 3.7 m-85 -75.01 -39.52 61.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.809 HD11 ' CG1' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -70.71 -47.9 57.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -62.35 -45.89 91.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -64.73 -32.73 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -166.81 160.81 14.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -37.75 87.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 t 60.34 80.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.08 -141.35 15.49 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.4 -70.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -113.38 46.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 30' ' ' VAL . 11.4 p -58.81 111.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.588 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -87.07 -177.15 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.993 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.1 p -59.4 -57.43 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.29 -36.33 92.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.588 HD12 ' H ' ' A' ' 31' ' ' ASP . 40.5 mt -67.29 -40.3 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD21 HG22 ' A' ' 17' ' ' VAL . 30.3 tp -67.65 -39.49 84.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -57.91 -46.11 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -67.56 -39.58 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -68.82 -48.09 64.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 39' ' ' LEU . 3.1 tp -58.84 -37.99 77.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 55' ' ' PHE . 10.0 mt-30 -74.1 -38.11 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.11 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.529 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -71.86 -34.09 68.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.529 ' CD2' HD12 ' A' ' 42' ' ' LEU . 6.0 m-85 -114.3 43.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.95 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -60.62 -40.47 92.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 46' ' ' ASP . 36.0 m -73.83 -42.6 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' N ' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -66.79 -41.13 88.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -98.17 -80.82 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.769 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.78 87.24 0.01 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.749 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -137.41 137.22 38.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.995 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -24.28 67.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.995 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.902 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 5.3 mtmp? -63.09 79.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.987 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -52.61 39.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -70.53 -47.44 60.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.902 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -56.24 -47.97 77.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.2 t80 -60.17 -39.25 85.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -62.37 -44.07 97.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.764 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 54' ' ' ALA . 23.3 mt -60.56 -40.26 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.728 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.428 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -60.71 -45.97 92.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.496 HG22 HD11 ' A' ' 13' ' ' LEU . 43.1 t -66.19 -34.94 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.27 -49.39 77.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.603 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 13' ' ' LEU . 13.6 t -70.75 -31.58 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -71.07 -42.23 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 0.0 110.73 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -74.77 -31.59 61.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.477 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.5 tt -76.15 -41.82 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.86 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.7 pt -57.49 -34.77 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 1.8 p -75.04 -48.65 22.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.54 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -73.85 -39.19 64.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.621 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.05 -49.09 20.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.69 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.762 ' HE2' HG21 ' A' ' 18' ' ' ILE . 5.6 mmmt -84.96 -47.91 9.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.456 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' SER . 0.8 OUTLIER 65.99 73.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 110.792 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.59 -168.54 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.786 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -164.51 -44.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.939 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.811 0.339 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -69.99 148.37 96.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.4 0.09 10.24 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.575 2.183 . . . . 0.0 112.853 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.56 133.87 93.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.815 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.15 -44.05 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.501 2.134 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.77 -95.53 0.24 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.556 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.1 t 63.94 132.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -137.0 -52.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 m -56.14 -28.11 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.351 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.63 -45.64 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.068 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -67.34 -39.73 85.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -35.91 68.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.679 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.85 -41.84 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 18' ' ' ILE . 24.4 ttpt -73.19 -52.14 15.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -59.68 -47.47 85.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.454 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HD3' ' CE2' ' A' ' 43' ' ' TYR . 1.7 tpm_? -64.82 -39.94 94.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG12 HD11 ' A' ' 21' ' ' LEU . 12.8 t -68.66 -52.4 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.768 ' HA ' HD12 ' A' ' 21' ' ' LEU . 31.8 pt -54.02 -38.61 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -32.43 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.467 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.799 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -71.89 -48.54 45.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.808 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.8 m -57.72 -38.18 74.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 -33.08 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -167.63 151.77 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -59.08 -39.87 83.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.6 t 59.44 71.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.04 142.5 11.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.416 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.41 -32.41 74.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -155.46 53.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.795 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 30' ' ' VAL . 11.4 p -61.27 109.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -89.11 -171.32 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 63' ' ' PHE . 27.7 p -59.81 -55.61 32.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.91 92.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.543 HD12 ' H ' ' A' ' 31' ' ' ASP . 32.9 mt -71.16 -43.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.544 HD22 ' HD1' ' A' ' 63' ' ' PHE . 12.2 tp -65.95 -50.82 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.403 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -59.0 -46.73 87.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.24 -39.19 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.75 -48.42 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.09 -30.05 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -45.71 70.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.99 -35.22 59.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.989 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE2' ' HD3' ' A' ' 16' ' ' ARG . 1.4 m-85 -104.54 43.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.825 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -30.14 65.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.0 m -74.71 -32.07 28.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.05 -56.2 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -83.45 -73.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.12 -116.95 5.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -158.52 30.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.744 0.307 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -86.7 135.61 33.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.928 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.1 mmtm 60.36 88.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -67.13 -59.88 3.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.037 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -65.54 -46.65 78.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -57.29 -47.65 80.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.204 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 59' ' ' VAL . 76.7 t80 -58.87 -38.86 79.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.862 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -61.3 -41.19 96.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.685 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 54' ' ' ALA . 15.8 mt -66.22 -37.2 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' VAL . 63.4 mt-30 -63.78 -46.08 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.62 HG11 ' HB2' ' A' ' 36' ' ' ALA . 21.7 t -71.17 -37.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.029 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.16 -47.37 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HE2' HG23 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -73.75 -32.4 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.706 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.3 t -73.77 -31.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HD1' HD22 ' A' ' 35' ' ' LEU . 63.7 t80 -71.04 -41.21 71.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.5 p -74.89 -32.47 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.431 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.592 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.4 tt -76.15 -43.18 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 62' ' ' VAL . 29.8 pt -54.02 -34.8 27.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.851 0.357 . . . . 0.0 111.557 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -75.05 -50.8 15.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.573 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -74.37 -50.12 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.075 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.583 ' OE1' HD11 ' A' ' 65' ' ' ILE . 4.4 tt0 -64.81 -49.56 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.538 ' HE3' HG21 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -86.08 -53.72 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.688 0.28 . . . . 0.0 111.214 -179.609 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 45.9 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.192 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.03 144.43 39.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? 61.35 178.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.892 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 147.02 35.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.96 96.8 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.567 2.178 . . . . 0.0 112.39 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.73 87.92 0.13 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.51 159.26 6.6 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.535 2.157 . . . . 0.0 112.269 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.36 61.43 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.19 64.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.906 0.384 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -134.29 109.61 8.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.9 t 67.76 -70.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.232 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -154.98 31.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -59.38 -30.9 68.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -39.38 69.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.814 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.58 -38.73 72.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.821 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' ILE . 22.2 ttpt -75.16 -51.96 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.752 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 1.7 tt0 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -65.96 -45.85 80.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.777 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.775 HG12 HD11 ' A' ' 21' ' ' LEU . 10.4 t -64.57 -52.28 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.843 ' HA ' HD12 ' A' ' 21' ' ' LEU . 35.3 pt -54.62 -37.85 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.373 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.5 mm100 -72.15 -30.89 65.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.58 -39.85 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.13 -46.09 53.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 110.708 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -60.31 -35.28 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -163.46 155.59 17.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -32.47 74.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.0 t 58.3 40.54 24.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.37 25.95 3.89 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.22 -68.64 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.76 0.314 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -137.26 102.17 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.826 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 35' ' ' LEU . 2.6 t -83.04 132.81 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.539 ' HB2' HD12 ' A' ' 34' ' ' ILE . 5.7 t0 -90.39 174.16 7.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -59.95 -59.97 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.92 85.04 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.61 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 31' ' ' ASP . 38.8 mt -71.8 -46.94 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 111.18 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HB2' HG12 ' A' ' 30' ' ' VAL . 55.2 tp -58.49 -43.41 89.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.678 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -59.49 -44.09 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -46.71 88.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.4 t70 -69.13 -47.04 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' CZ ' ' A' ' 55' ' ' PHE . 5.7 tp -59.46 -39.56 84.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 2.0 tt0 -74.21 -35.44 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -76.1 -36.2 59.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD2' HD12 ' A' ' 42' ' ' LEU . 6.0 m-85 -115.15 49.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -50.08 65.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.84 -31.0 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.35 -29.34 57.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.531 ' CD2' ' CE1' ' A' ' 55' ' ' PHE . 20.2 m-85 -118.01 -69.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -50.63 94.41 0.01 OUTLIER Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.676 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -139.44 84.91 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.007 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.79 36.96 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 2.0 pttt -177.86 62.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.428 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -39.99 86.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.11 -41.34 86.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . . . -54.89 -37.47 66.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.721 ' O ' HG12 ' A' ' 59' ' ' VAL . 71.3 t80 -68.48 -33.82 74.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -68.57 -33.85 74.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.721 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.0 mt -72.53 -53.04 20.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.0 pt20 -58.07 -46.06 86.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.95 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 55' ' ' PHE . 13.3 p -67.48 -32.84 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.649 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HA ' HG22 ' A' ' 32' ' ' THR . 14.1 mt-10 -62.82 -48.14 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -31.45 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.605 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.814 HG21 ' HB3' ' A' ' 13' ' ' LEU . 14.8 t -66.29 -31.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -66.31 -38.97 88.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 -36.65 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.6 HG22 ' HA ' ' A' ' 62' ' ' VAL . 13.8 tt -74.85 -43.09 46.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.984 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.0 pt -54.41 -40.29 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 66' ' ' ILE . 5.1 t -75.22 -39.64 59.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.266 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -49.04 25.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.601 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.15 -49.12 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.526 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.8 mmtp -81.14 -55.06 5.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.232 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 60.91 173.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.8 tp -157.87 111.09 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -159.94 115.0 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.897 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 143.94 35.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.47 116.23 4.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.547 2.165 . . . . 0.0 112.448 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 58.64 74.41 0.61 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.82 172.8 15.6 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.592 2.194 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.44 -173.84 42.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.548 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.461 HG13 ' HD2' ' A' ' 12' ' ' LYS . 25.6 m -109.72 -178.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -84.52 -77.02 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.998 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 9' ' ' VAL . 9.6 p -111.98 59.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t0 58.17 45.54 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -30.78 65.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HD2' HG13 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -55.05 -34.99 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.732 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -57.18 -42.53 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.719 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -74.42 -51.97 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.01 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' NE ' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -63.82 -42.11 97.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.835 HG12 HD11 ' A' ' 21' ' ' LEU . 11.6 t -65.27 -52.44 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.755 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.2 pt -54.62 -36.33 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 18' ' ' ILE . 4.1 mt-30 -72.3 -31.56 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.01 -39.49 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.2 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.835 HD11 HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -73.05 -45.25 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.815 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 m -59.94 -50.09 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 t -61.55 -30.94 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.97 162.27 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -63.47 -40.59 97.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 59.57 85.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.76 143.12 12.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.426 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -59.59 -49.39 77.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -149.18 89.28 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 30' ' ' VAL . 11.8 p -90.02 113.38 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -85.53 179.38 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -58.68 -57.86 11.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.31 88.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.426 HD12 ' H ' ' A' ' 31' ' ' ASP . 33.5 mt -71.21 -43.81 74.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 111.176 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.3 tt -60.2 -41.84 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.597 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -57.42 -49.54 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -48.32 78.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.93 -48.04 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD23 ' HE2' ' A' ' 47' ' ' TYR . 5.7 tp -59.29 -41.4 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.04 -34.5 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -48.28 82.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -70.92 -27.4 63.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.576 ' CD2' HD12 ' A' ' 42' ' ' LEU . 10.2 m-85 -117.76 52.1 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 110.756 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.2 p -63.91 -29.8 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.7 p -73.61 -32.6 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.416 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -104.61 -65.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' HE2' HD22 ' A' ' 13' ' ' LEU . 3.6 m-85 -62.47 -28.69 70.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.324 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -56.37 103.41 0.26 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.601 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -124.45 178.43 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -83.73 -31.4 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.868 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -82.56 82.64 7.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -66.2 -47.84 72.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' OD1' HD11 ' A' ' 57' ' ' ILE . 11.5 t-20 -64.66 -48.03 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -58.79 -50.0 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.2 t80 -58.77 -40.61 84.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -42.87 95.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.725 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.887 HD12 ' HA ' ' A' ' 54' ' ' ALA . 6.7 mt -61.75 -41.05 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.66 HG22 HD21 ' A' ' 13' ' ' LEU . 23.4 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.15 -46.84 88.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -33.83 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 13' ' ' LEU . 8.0 t -66.55 -31.55 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -71.1 -41.28 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.66 -31.7 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.7 tt -75.67 -46.32 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.637 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 62' ' ' VAL . 28.4 pt -53.88 -36.97 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 0.0 111.257 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -48.35 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.776 0.322 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -74.27 -50.11 20.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.653 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 6.6 mt-10 -57.99 -49.46 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.821 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.4 mptp? -82.71 -44.3 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 111.223 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 63.43 149.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.1 pp -59.88 137.64 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.8 97.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.995 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.782 0.325 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -99.89 139.68 20.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.11 1.69 9.05 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.641 2.227 . . . . 0.0 112.817 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -138.14 96.5 10.12 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.963 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.52 136.54 33.88 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.449 2.099 . . . . 0.0 112.32 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.55 131.97 1.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 8' ' ' PHE . 11.2 p -163.08 158.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 111.058 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.49 ' N ' HG22 ' A' ' 7' ' ' VAL . 2.2 t80 61.51 177.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 9' ' ' VAL . 15.2 t 64.55 29.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.11 81.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -68.94 -30.93 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -39.02 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.88 -41.66 78.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -75.03 -52.1 11.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.846 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.94 -47.23 85.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.012 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.726 HG12 HD11 ' A' ' 21' ' ' LEU . 4.0 t -65.61 -52.41 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.772 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.8 pt -55.08 -35.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' N ' HG13 ' A' ' 18' ' ' ILE . 3.0 mt-30 -72.22 -32.38 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.32 -39.64 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.03 -46.98 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.795 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -58.86 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -177.45 157.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -39.05 82.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.96 51.69 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.43 25.34 4.38 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.608 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mttm 62.73 -79.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.755 0.312 . . . . 0.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -122.92 117.07 24.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.818 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG11 ' HG ' ' A' ' 35' ' ' LEU . 5.1 t -105.45 135.09 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.213 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' CB ' HD13 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -103.56 168.56 9.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.552 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 p -54.81 -52.09 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.66 -34.38 88.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.003 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.9 mp -77.31 -43.91 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.51 ' HG ' HG11 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -57.57 -43.91 84.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.44 74.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.55 -45.85 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.28 -48.02 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 39' ' ' LEU . 6.7 tp -58.41 -40.8 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -74.07 -37.5 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -58.3 -48.18 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -73.56 -30.1 62.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.463 ' CD2' HD12 ' A' ' 42' ' ' LEU . 4.6 m-85 -113.2 42.95 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.808 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 p -60.06 -31.86 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.1 -33.41 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.17 -66.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -71.9 -41.68 67.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.87 64.67 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -175.39 37.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -165.29 -168.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 11.6 tttt -54.1 109.15 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 ttp-105 -67.16 -49.36 65.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -57.25 -47.78 80.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.873 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -58.92 -43.95 91.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.552 ' O ' HG23 ' A' ' 59' ' ' VAL . 67.8 t80 -57.35 -42.79 82.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -60.53 -44.51 96.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 54' ' ' ALA . 6.6 mt -60.53 -39.15 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 55' ' ' PHE . 21.8 t -64.55 -36.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -61.58 -47.71 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -75.02 -33.88 61.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 66' ' ' ILE . 10.4 t -72.13 -31.82 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.441 ' HD1' HD12 ' A' ' 35' ' ' LEU . 87.2 t80 -71.15 -40.05 71.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 0.0 110.653 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -74.8 -32.85 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.0 tt -76.08 -43.47 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 62' ' ' VAL . 35.5 pt -55.48 -34.79 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -49.23 32.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.99 -50.12 21.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.688 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HE2' HD13 ' A' ' 18' ' ' ILE . 1.6 mmmt -81.48 -48.65 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.737 0.303 . . . . 0.0 111.358 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 66.8 148.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.765 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.74 152.87 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.03 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.97 113.11 22.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.918 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.727 0.298 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.56 147.75 47.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.59 134.81 24.94 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.577 2.185 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' A' ' 5' ' ' PRO . 5.6 ttp180 -61.78 -61.03 8.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 37.4 Cg_endo -65.97 156.02 66.56 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.486 2.124 . . . . 0.0 112.224 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.9 -29.35 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.673 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.632 HG23 ' CD2' ' A' ' 8' ' ' PHE . 6.0 m -59.79 -25.67 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.325 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' CD2' HG23 ' A' ' 7' ' ' VAL . 10.9 p90 -140.73 -168.29 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 9' ' ' VAL . 11.0 p 46.28 28.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.805 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 173.52 -35.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.787 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -64.89 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -35.55 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -56.89 -41.46 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.536 ' O ' HG23 ' A' ' 18' ' ' ILE . 15.1 ttpt -74.51 -51.54 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.33 -47.26 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NE ' ' CE2' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -64.33 -41.64 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.747 HG12 HD11 ' A' ' 21' ' ' LEU . 6.9 t -65.97 -52.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.045 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.857 ' HA ' HD12 ' A' ' 21' ' ' LEU . 48.0 pt -55.0 -36.09 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 18' ' ' ILE . 10.2 mt-30 -72.27 -32.61 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -39.46 66.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.306 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.14 -47.99 39.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.811 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -58.43 -50.01 75.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -62.39 -37.63 86.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -158.41 151.54 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -39.19 78.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER 59.89 44.97 12.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.77 28.18 5.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.534 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.47 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.323 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -129.5 87.54 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 26' ' ' CYS . 8.5 t -62.95 155.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.729 ' HB2' HD12 ' A' ' 34' ' ' ILE . 2.0 t0 -104.6 171.79 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 60' ' ' GLU . 2.8 p -61.4 -61.38 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.51 81.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.729 HD12 ' HB2' ' A' ' 31' ' ' ASP . 35.0 mt -74.43 -47.2 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.68 -48.14 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.588 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -56.38 -52.08 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.341 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -58.25 -49.41 77.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.027 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 39' ' ' LEU . 5.6 tp -57.4 -50.71 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -69.44 -29.95 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -67.68 -47.94 68.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.064 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.496 HD12 ' CG ' ' A' ' 43' ' ' TYR . 2.7 pp -75.0 -30.14 61.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.496 ' CG ' HD12 ' A' ' 42' ' ' LEU . 4.8 m-85 -109.83 44.4 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.816 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -31.39 69.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.7 -43.03 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -53.94 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -85.35 -64.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.14 166.42 31.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -87.92 79.38 8.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -113.42 -66.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 9.1 mttp -105.79 88.7 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -67.04 -44.32 80.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -74.03 -48.12 32.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.888 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -60.28 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.271 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.5 t80 -59.16 -41.49 88.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -60.39 -45.27 94.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.0 mt -65.34 -39.1 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.33 -46.04 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 55' ' ' PHE . 22.0 t -66.88 -31.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HA ' HG22 ' A' ' 32' ' ' THR . 1.3 mt-10 -63.04 -50.64 69.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -33.26 61.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.786 ' O ' HG23 ' A' ' 66' ' ' ILE . 3.6 t -70.45 -31.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -71.17 -37.43 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.9 m -74.79 -33.99 62.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.254 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 62' ' ' VAL . 12.2 tt -76.17 -43.01 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.791 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.786 HG23 ' O ' ' A' ' 62' ' ' VAL . 36.8 pt -56.63 -36.76 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 0.0 111.433 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -70.73 -49.67 44.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.375 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -38.55 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.879 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -49.71 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.639 ' HE3' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -86.44 -53.07 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 0.0 111.136 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.87 155.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.54 160.05 20.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.67 -80.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.948 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.836 0.351 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 149.59 45.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.94 -167.88 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.558 2.172 . . . . 0.0 112.319 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.36 60.58 5.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.5 142.83 45.63 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.511 2.141 . . . . 0.0 112.279 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.52 131.01 2.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 11' ' ' ARG . 21.4 t -111.25 82.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.088 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -114.38 78.6 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 10' ' ' ASP . 10.7 p -178.59 -44.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.073 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.486 ' N ' HG13 ' A' ' 9' ' ' VAL . 22.4 m-20 -110.3 -28.53 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HB2' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.56 -31.86 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.02 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -59.74 -38.33 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.742 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.68 -38.33 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.2 ttpm? -74.69 -52.08 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 18' ' ' ILE . 5.5 tp60 -61.0 -46.27 91.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.1 tpm_? -64.76 -40.75 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.806 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.77 HG12 HD11 ' A' ' 21' ' ' LEU . 10.3 t -68.5 -52.25 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.812 ' HA ' HD12 ' A' ' 21' ' ' LEU . 40.5 pt -53.45 -37.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' N ' HG13 ' A' ' 18' ' ' ILE . 25.1 mm-40 -72.14 -34.91 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.7 m-85 -68.37 -40.8 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.284 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -73.1 -42.4 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -65.14 -49.48 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -59.95 -30.29 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -175.27 157.66 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -65.2 -32.79 74.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.5 t 60.03 39.28 20.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.63 43.62 0.62 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.474 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mttm 62.84 -80.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.668 0.27 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -134.63 109.89 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.755 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 35' ' ' LEU . 1.8 t -85.91 123.85 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HB2' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -87.05 176.93 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 p -58.92 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.16 94.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 31' ' ' ASP . 37.2 mt -68.34 -45.63 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 30' ' ' VAL . 29.4 tp -59.04 -40.67 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.711 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 m -59.2 -45.39 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.96 -47.81 70.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.86 -41.86 92.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -38.21 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.068 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -58.4 -45.68 87.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.082 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 43' ' ' TYR . 3.2 pp -78.09 -35.85 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.489 ' N ' HD12 ' A' ' 42' ' ' LEU . 3.6 m-85 -110.55 46.53 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.772 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.1 p -61.91 -50.04 73.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.8 m -68.01 -34.12 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.191 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.75 -71.82 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' CG ' ' CE1' ' A' ' 55' ' ' PHE . 8.1 m-85 -70.62 -52.87 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.65 149.16 37.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -173.84 -66.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -144.31 -72.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 12.5 pttp -60.15 88.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -67.16 -53.18 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -58.55 -38.72 78.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.282 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.667 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -53.23 -42.73 66.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.262 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' CE1' ' CG ' ' A' ' 47' ' ' TYR . 34.1 t80 -59.36 -41.57 89.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.816 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.47 -43.98 96.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.616 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 54' ' ' ALA . 11.6 mt -63.0 -40.99 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -60.64 -46.29 90.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 36' ' ' ALA . 9.5 p -75.12 -31.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.23 -50.31 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -75.02 -33.2 61.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.585 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.4 t -69.7 -31.55 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' A' ' 30' ' ' VAL . 65.9 t80 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 t -74.87 -37.08 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.5 tt -72.72 -44.44 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.839 -179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.3 pt -53.8 -35.14 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 111.051 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -75.41 -45.36 39.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.293 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 m -74.08 -50.17 20.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.878 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -64.14 -49.07 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.68 -179.031 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.657 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.3 mmmp? -79.13 -39.28 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.581 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 61.32 163.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.775 0.322 . . . . 0.0 110.709 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.7 91.94 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.72 160.86 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.899 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.899 0.381 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.41 143.17 27.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.7 -169.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.504 2.136 . . . . 0.0 112.37 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.32 108.12 0.78 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.88 127.36 16.84 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.374 2.049 . . . . 0.0 112.32 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.65 69.8 2.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.638 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.91 -73.29 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.35 163.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.977 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.07 -29.71 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.81 55.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.713 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -56.44 -30.86 63.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -55.73 -34.87 65.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.634 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -57.13 -42.55 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -74.3 -52.12 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -57.45 -48.29 79.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -64.29 -41.48 96.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.735 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.75 HG12 HD11 ' A' ' 21' ' ' LEU . 5.2 t -65.22 -52.37 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.749 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.6 pt -55.32 -36.01 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mt-30 -72.28 -31.65 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.413 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -75.12 -39.41 60.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.373 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.07 -51.05 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -47.36 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 t -60.11 -36.11 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.77 166.46 7.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -70.69 -43.74 68.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t 60.93 54.04 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.03 29.66 2.52 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.44 -67.98 0.19 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -148.91 115.18 5.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.681 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -90.96 154.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.779 ' HB2' HD12 ' A' ' 34' ' ' ILE . 1.1 m-20 -118.56 176.93 5.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.688 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.62 HG22 ' HB3' ' A' ' 63' ' ' PHE . 64.6 p -57.47 -60.44 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.88 96.48 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.66 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 31' ' ' ASP . 54.4 mt -64.5 -46.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.94 -40.5 80.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -57.56 -47.14 82.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.0 -32.83 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -45.35 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' A' ' 39' ' ' LEU . 7.7 tp -60.0 -39.95 87.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 11.4 pt20 -74.0 -37.67 64.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -48.04 83.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 3.1 pp -72.2 -34.14 68.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 2.3 m-85 -108.53 43.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.762 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -30.42 65.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.47 -31.03 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -93.99 -61.37 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -78.69 -51.81 9.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.3 -110.05 3.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.38 33.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.18 114.32 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.1 mmpt? 57.88 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -46.1 75.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.806 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -74.22 -48.1 31.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.618 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -53.54 -50.16 66.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.734 0.302 . . . . 0.0 111.377 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.714 ' O ' HG23 ' A' ' 59' ' ' VAL . 14.0 t80 -60.38 -35.77 76.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.822 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -67.18 -42.56 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 54' ' ' ALA . 12.3 mt -60.17 -45.35 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -46.21 91.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.676 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 55' ' ' PHE . 29.8 t -67.71 -36.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.72 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.32 -45.82 92.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -34.0 64.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 66' ' ' ILE . 10.3 t -72.3 -32.0 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HB3' HG22 ' A' ' 32' ' ' THR . 65.5 t80 -71.23 -39.51 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.0 110.677 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -74.85 -33.03 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.32 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -76.16 -42.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.709 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.6 pt -58.53 -34.81 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -71.96 -50.54 28.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.431 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -42.79 59.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.612 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -49.09 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.765 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 18' ' ' ILE . 2.8 mmmt -82.95 -40.2 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.45 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 67' ' ' SER . 3.2 mm-40 67.19 72.25 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 mt -87.21 141.3 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.21 -43.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.87 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.73 147.93 37.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 137.94 31.78 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.517 2.144 . . . . 0.0 112.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.13 151.35 17.48 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -172.26 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.504 2.136 . . . . 0.0 112.255 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.22 -162.73 30.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.551 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.16 149.0 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.36 -62.29 1.52 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -179.97 -39.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.66 22.84 2.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.701 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.01 -30.93 27.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.215 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -54.97 -39.35 68.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.72 -40.18 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 18' ' ' ILE . 11.4 ttpt -75.09 -52.14 11.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.406 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 tp-100 -60.6 -44.27 96.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HD3' ' CE2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -64.88 -43.66 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.849 HG12 HD11 ' A' ' 21' ' ' LEU . 11.0 t -64.7 -52.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' A' ' 21' ' ' LEU . 43.6 pt -54.24 -37.27 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 111.313 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 18' ' ' ILE . 5.3 mt-30 -72.12 -31.24 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.489 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.9 m-85 -75.1 -40.46 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.849 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.08 -37.86 66.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 0.0 110.664 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.2 p -67.8 -49.92 59.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -67.15 -42.43 84.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -142.65 165.63 26.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -71.67 -28.56 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.9 t 62.18 48.51 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.7 -177.13 37.08 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 121.02 44.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 61.04 36.49 18.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 30' ' ' VAL . 7.1 p -60.74 85.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.717 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -63.58 -174.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.543 HG21 ' OE1' ' A' ' 60' ' ' GLU . 68.2 p -59.24 -56.7 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.35 81.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.476 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.717 HD12 ' H ' ' A' ' 31' ' ' ASP . 32.4 mt -72.51 -42.03 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -63.59 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -59.04 -45.62 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -42.9 95.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -71.99 -48.14 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -55.91 -38.53 70.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.9 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -48.13 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.674 HD12 ' CD2' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -72.98 -35.13 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.943 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.674 ' CD2' HD12 ' A' ' 42' ' ' LEU . 9.5 m-85 -120.37 54.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.938 0.399 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -36.63 82.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 p -76.09 -32.37 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.233 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.02 -36.77 19.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.318 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -111.76 -52.01 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.256 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -51.25 102.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.719 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -65.88 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -177.16 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.817 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -66.49 83.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -42.33 85.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' OD1' HD11 ' A' ' 57' ' ' ILE . 9.1 t-20 -70.9 -48.02 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.046 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.848 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -57.18 -48.74 77.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.6 ' O ' HG23 ' A' ' 59' ' ' VAL . 20.0 t80 -58.26 -38.69 77.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -64.57 -40.63 95.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.2 mt -65.71 -41.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -46.15 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 55' ' ' PHE . 29.1 t -67.11 -32.4 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.543 ' OE1' HG21 ' A' ' 32' ' ' THR . 3.6 mm-40 -64.82 -48.3 74.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.643 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -74.99 -32.04 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' ILE . 8.1 t -74.52 -31.81 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB3' HG22 ' A' ' 32' ' ' THR . 53.1 t80 -71.14 -40.02 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.85 -32.87 62.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.9 tt -76.1 -44.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.711 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' VAL . 32.9 pt -53.8 -34.91 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -46.8 32.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.321 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -74.25 -50.1 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.916 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.63 -49.14 72.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.519 ' HE2' HG21 ' A' ' 18' ' ' ILE . 8.4 mmmt -80.16 -39.66 28.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.653 0.263 . . . . 0.0 111.574 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 66.51 75.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.678 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.47 38.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.92 154.07 18.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.856 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -93.5 139.01 22.74 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.49 172.12 16.81 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 112.399 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.515 ' N ' ' HD2' ' A' ' 5' ' ' PRO . 45.7 ttp85 -67.13 -55.11 16.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 37.1 Cg_endo -65.5 131.52 28.22 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.226 1.95 . . . . 0.0 112.176 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -96.13 157.59 21.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.1 t -106.02 -21.79 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 111.235 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 63.07 -82.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t -155.17 -46.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 110.644 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.08 21.49 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.862 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -30.69 66.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -54.87 -37.02 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.86 -41.33 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.59 179.764 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 18' ' ' ILE . 14.6 ttpt -75.11 -52.06 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.744 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -43.35 88.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HG3' ' CE2' ' A' ' 20' ' ' TYR . 13.5 tpp180 -66.45 -43.37 85.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.748 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.798 HG12 HD11 ' A' ' 21' ' ' LEU . 12.8 t -65.27 -52.37 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.834 ' HA ' HD12 ' A' ' 21' ' ' LEU . 39.0 pt -54.76 -37.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.246 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.0 mt-30 -72.14 -31.03 65.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.488 ' OH ' HD13 ' A' ' 42' ' ' LEU . 3.7 m-85 -74.46 -39.53 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.472 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -47.39 44.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.789 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 m -59.59 -49.97 75.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.016 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.59 -40.85 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -156.49 160.32 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -47.83 82.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.91 48.54 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.68 -8.26 8.81 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.985 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm 69.97 -66.42 0.27 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.807 0.337 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.9 40.46 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 30' ' ' VAL . 12.0 p -56.74 118.99 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -89.18 -176.13 5.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.6 p -59.06 -57.57 12.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.47 -32.99 79.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.432 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.546 HD12 ' H ' ' A' ' 31' ' ' ASP . 39.1 mt -74.3 -45.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.6 tt -60.87 -38.58 86.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.14 92.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -64.03 -39.79 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' HD23 ' A' ' 42' ' ' LEU . 25.0 t70 -71.09 -48.08 54.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 7.7 tp -60.77 -40.95 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.14 -31.88 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -64.31 -48.05 77.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.618 HD12 ' CD2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -74.07 -32.99 63.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.618 ' CD2' HD12 ' A' ' 42' ' ' LEU . 7.6 m-85 -118.61 49.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -50.07 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 m -66.85 -31.02 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.21 -30.4 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' CD2' ' CE1' ' A' ' 55' ' ' PHE . 25.1 m-85 -113.84 -74.29 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.6 90.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.603 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -166.72 -43.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.08 -65.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -122.37 95.27 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -51.95 48.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -58.08 -42.55 85.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -55.01 -34.88 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.881 ' O ' HG23 ' A' ' 59' ' ' VAL . 31.4 t80 -63.69 -42.78 97.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -61.41 -46.06 91.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.617 HD12 ' HA ' ' A' ' 54' ' ' ALA . 4.9 mt -63.92 -43.75 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -60.18 -46.03 91.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.734 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 55' ' ' PHE . 23.8 t -65.14 -31.97 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.41 -48.95 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.775 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.804 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.3 t -64.45 -31.63 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' HD2' HD12 ' A' ' 35' ' ' LEU . 45.8 t80 -69.53 -37.3 77.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -74.82 -35.34 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.0 tt -75.96 -44.23 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.931 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.804 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.4 pt -53.8 -34.69 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.275 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 p -75.09 -46.01 37.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.266 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -74.09 -50.29 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.651 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -61.53 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.387 -179.428 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HE2' HD13 ' A' ' 18' ' ' ILE . 5.5 mmmt -81.53 -55.2 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.182 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 62.65 146.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 mt -156.3 29.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -95.34 137.53 34.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.884 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -98.94 138.8 20.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -83.67 53.15 4.03 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.664 2.242 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -128.43 86.84 56.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.25 157.17 60.27 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.577 2.184 . . . . 0.0 112.226 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.58 113.1 1.91 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.97 -39.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 111.192 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.72 -76.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.025 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 m -98.37 26.33 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.294 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.36 -26.82 8.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -30.92 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.286 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 3.9 mptt -57.34 -41.89 80.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.031 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.783 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.54 -39.27 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 11.4 ttpt -74.87 -51.7 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.737 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.89 -44.16 97.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HD3' ' CE2' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -64.97 -43.18 93.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.805 HG12 HD11 ' A' ' 21' ' ' LEU . 7.3 t -66.22 -52.41 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.867 ' HA ' HD12 ' A' ' 21' ' ' LEU . 41.7 pt -53.87 -37.21 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 111.157 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.418 ' N ' HG13 ' A' ' 18' ' ' ILE . 22.6 mt-30 -72.24 -32.29 66.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -38.27 67.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.11 -42.29 63.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -62.94 -49.96 72.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -60.56 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -173.59 159.9 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -59.36 -33.75 71.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 t 58.62 30.73 20.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.86 144.61 5.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.417 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 96.56 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 60.97 54.26 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.31 132.1 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.032 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' H ' HD12 ' A' ' 34' ' ' ILE . 1.2 m-20 -96.7 178.34 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -59.09 -57.6 12.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.64 -32.19 68.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.22 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.407 HD12 ' H ' ' A' ' 31' ' ' ASP . 42.5 mt -75.8 -45.08 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.892 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt -61.86 -43.62 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.82 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -38.5 64.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.19 -38.79 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 39' ' ' LEU . 8.3 tp -65.75 -42.61 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 1.3 pp0? -74.09 -31.6 62.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.269 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -63.33 -48.0 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 2.1 pp -73.22 -34.2 65.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 3.5 m-85 -112.82 45.26 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.732 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -47.4 86.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.089 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.6 -30.9 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.281 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.83 -73.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -63.83 -59.57 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.22 85.52 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.6 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.24 -66.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.974 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -127.02 159.54 33.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 pttm 43.26 84.7 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.503 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.8 ttm-85 -66.94 -52.45 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -57.74 -39.67 77.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -55.16 -41.86 72.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.214 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 59' ' ' VAL . 50.1 t80 -59.93 -41.75 92.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -59.68 -46.03 90.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.67 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 54' ' ' ALA . 4.6 mt -66.26 -37.81 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.76 -45.05 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 55' ' ' PHE . 38.3 t -67.73 -34.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.54 -48.59 80.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -35.73 65.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 13' ' ' LEU . 19.3 t -69.83 -31.75 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -71.08 -41.24 70.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -32.61 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.291 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.606 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.1 tt -76.04 -43.29 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.752 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 62' ' ' VAL . 28.9 pt -55.89 -35.97 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 27.1 t -75.18 -43.89 49.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -73.96 -50.1 21.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.432 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.3 -49.09 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -51.82 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.725 0.298 . . . . 0.0 111.461 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 67' ' ' SER . 4.8 mt-10 66.27 123.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -65.53 -59.06 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.34 -70.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.9 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 144.26 28.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.48 93.44 0.92 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.561 2.174 . . . . 0.0 112.413 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -160.58 84.54 1.97 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.31 -60.47 0.74 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.639 2.226 . . . . 0.0 112.269 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.85 111.98 0.62 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.493 HG13 ' HD3' ' A' ' 11' ' ' ARG . 22.0 t -128.1 68.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.983 0.42 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -137.63 29.68 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.27 -67.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -143.02 17.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HD3' HG13 ' A' ' 7' ' ' VAL . 1.4 tpt85 -69.12 -31.49 70.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.795 0.331 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -58.43 -34.29 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.543 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.91 -40.1 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 66' ' ' ILE . 10.4 ttpt -73.44 -52.05 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.689 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 1.1 tp-100 -59.52 -43.52 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.43 -39.83 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 21' ' ' LEU . 13.9 t -68.45 -52.3 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 21' ' ' LEU . 36.4 pt -53.56 -40.1 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mm-40 -72.34 -31.02 65.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.4 -39.75 70.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.416 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -47.25 46.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.799 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -59.7 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -60.82 -31.28 70.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.14 154.85 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -61.58 -33.39 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.7 t 60.59 31.34 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.63 -142.32 12.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -134.77 -56.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.23 39.98 3.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' ' 30' ' ' VAL . 7.6 p -55.33 92.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.616 ' H ' HD12 ' A' ' 34' ' ' ILE . 14.7 m-20 -78.14 -172.37 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.778 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 p -55.86 -53.05 61.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.74 -34.09 87.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.616 HD12 ' H ' ' A' ' 31' ' ' ASP . 33.2 mt -74.26 -40.12 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.526 HD23 ' CG1' ' A' ' 59' ' ' VAL . 51.7 tp -63.29 -43.11 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -62.18 -50.39 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -67.0 -48.08 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HA ' HD21 ' A' ' 42' ' ' LEU . 7.9 tp -60.63 -38.08 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -35.97 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -48.18 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.9 pp -70.87 -32.21 69.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.502 ' CD2' HD12 ' A' ' 42' ' ' LEU . 4.1 m-85 -113.47 41.79 2.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.828 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 t -60.54 -35.96 77.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.13 -30.81 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -89.76 -69.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CG ' ' CE1' ' A' ' 55' ' ' PHE . 9.2 m-85 -78.86 -42.92 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.245 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -49.78 96.35 0.01 OUTLIER Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.749 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.1 -173.08 2.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -32.51 72.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -80.73 67.2 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -39.97 85.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.12 -35.7 81.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -60.54 -48.14 83.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.2 t80 -59.77 -36.17 76.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -63.67 -42.86 97.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.4 mt -66.41 -40.91 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -62.67 -44.83 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.786 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 55' ' ' PHE . 25.9 t -68.74 -36.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.81 -54.06 47.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.34 -31.71 72.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.8 ' O ' HG23 ' A' ' 66' ' ' ILE . 4.4 t -76.52 -31.64 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.992 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.52 -38.11 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.8 t -74.84 -35.1 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.2 tt -74.8 -43.32 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.773 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.8 HG23 ' O ' ' A' ' 62' ' ' VAL . 31.6 pt -57.06 -34.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.413 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -49.33 29.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.751 0.31 . . . . 0.0 111.235 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -74.29 -35.99 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -49.38 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 3.5 mptt -86.21 -26.68 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.596 0.236 . . . . 0.0 111.399 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 63.19 79.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 70' ' ' LYS . 1.5 mm? -120.9 29.74 7.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.74 38.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.916 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.781 0.324 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -84.52 146.48 47.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.69 142.97 36.79 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.555 2.17 . . . . 0.0 112.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -86.56 112.66 48.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.43 112.27 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.453 2.102 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.94 -130.58 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 m -71.7 150.14 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -162.12 -68.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.8 m -110.07 -24.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.83 21.46 7.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.211 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 ttt-85 -69.05 -30.75 69.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.8 -36.26 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.28 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.722 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.62 -43.11 79.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.399 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CG ' HG22 ' A' ' 66' ' ' ILE . 1.9 ttpm? -72.3 -49.08 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -61.55 -48.18 82.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.493 -179.74 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.9 tpp180 -63.2 -40.29 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.922 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.846 HG12 HD11 ' A' ' 21' ' ' LEU . 13.5 t -66.18 -52.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.059 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.761 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.0 pt -54.0 -37.7 35.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.4 mt-30 -72.28 -31.3 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.681 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -73.79 -39.96 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.33 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.846 HD11 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -50.03 25.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.2 m -56.87 -49.14 76.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -61.09 -30.16 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.95 161.79 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -64.15 -33.21 75.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.35 31.8 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.84 147.91 5.75 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.554 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 112.16 10.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 59.46 45.84 13.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 30' ' ' VAL . 10.5 p -58.41 115.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -96.51 -173.07 2.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 p -62.03 -55.8 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.25 -35.7 79.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.406 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 34' ' ' ILE . 4.7 mp -78.06 -38.06 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' HB2' HG22 ' A' ' 30' ' ' VAL . 47.1 tp -70.7 -47.2 61.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.625 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -58.46 -47.38 84.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -41.93 98.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' OD1' HD23 ' A' ' 42' ' ' LEU . 52.7 t0 -70.55 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 39' ' ' LEU . 6.1 tp -59.54 -44.23 93.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 55' ' ' PHE . 21.5 mt-30 -74.01 -34.85 64.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -63.18 -44.12 96.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.681 HD13 ' OH ' ' A' ' 20' ' ' TYR . 3.9 pp -77.18 -35.05 56.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.556 ' N ' HD12 ' A' ' 42' ' ' LEU . 2.1 m-85 -107.21 44.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.1 p -61.14 -32.66 72.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.49 -36.67 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.11 -55.86 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -91.19 -61.96 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.05 -118.28 14.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -96.85 40.38 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 87.16 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.952 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.9 mttp 58.41 106.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -67.07 -58.52 4.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -74.12 -47.99 32.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.41 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.952 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -53.7 -49.12 68.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.369 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.674 ' O ' HG23 ' A' ' 59' ' ' VAL . 45.9 t80 -58.29 -46.16 86.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -57.71 -51.34 69.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.733 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.3 -33.05 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.726 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -46.14 76.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 55' ' ' PHE . 22.3 t -63.06 -38.75 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.769 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.17 -46.79 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -75.15 -36.89 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.699 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.7 t -66.44 -31.91 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 66' ' ' ILE . 16.8 t80 -71.25 -41.82 69.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.706 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -74.92 -32.24 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.9 tt -76.16 -42.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 62' ' ' VAL . 18.7 pt -55.26 -34.75 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 111.437 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.46 -50.89 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.319 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.7 t -73.6 -50.06 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.422 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.16 -49.12 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.605 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.2 mmmp? -83.51 -55.08 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.034 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 60.26 112.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 73' ' ' LYS . 3.8 pp -78.38 -43.44 27.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.577 ' N ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -178.1 38.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.893 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.769 0.319 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -90.19 150.13 42.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.45 109.95 2.57 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.628 2.219 . . . . 0.0 112.311 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 60.23 64.97 2.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.49 -164.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.611 2.207 . . . . 0.0 112.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.54 -55.69 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.428 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 7' ' ' VAL . 13.7 p -166.01 40.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -110.06 -31.06 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG23 ' OD1' ' A' ' 10' ' ' ASP . 9.0 m -94.33 -22.06 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.419 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' OD1' HG23 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -89.74 12.06 18.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.457 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -69.16 -30.93 69.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -54.94 -42.11 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.9 -42.01 79.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 18' ' ' ILE . 3.8 ttpt -75.09 -52.14 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.031 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.06 98.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -42.0 88.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.758 HG12 HD11 ' A' ' 21' ' ' LEU . 12.2 t -67.15 -52.23 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 21' ' ' LEU . 39.3 pt -54.17 -38.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 111.196 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.6 mt-30 -72.26 -31.28 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.754 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.1 m-85 -72.27 -40.4 67.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.382 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -42.18 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 110.745 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.9 m -65.28 -50.01 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -62.36 -41.08 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -152.6 164.15 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -67.14 -45.64 76.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 58.76 85.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.39 109.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -58.95 127.1 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.755 0.312 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 61.62 41.95 11.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 30' ' ' VAL . 10.7 p -66.27 110.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.031 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.664 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -85.35 -175.66 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.4 p -58.6 -57.17 14.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.05 -32.53 80.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.664 HD12 ' H ' ' A' ' 31' ' ' ASP . 48.4 mt -76.1 -40.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.3 tt -65.2 -44.92 86.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.03 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 3.2 m -71.09 -34.48 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.761 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -43.33 35.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.467 ' HA ' HD12 ' A' ' 39' ' ' LEU . 6.3 tp -61.0 -40.29 92.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.12 -38.87 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 37' ' ' SER . 1.4 ttt180 -58.18 -48.11 81.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.754 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -71.36 -34.25 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' CD2' HD12 ' A' ' 42' ' ' LEU . 8.0 m-85 -118.3 54.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.751 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.0 p -65.47 -46.21 80.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.23 -31.39 50.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -95.21 -72.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.412 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -69.33 -51.58 35.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.369 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.93 63.69 0.7 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.822 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -54.55 2.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -151.87 175.0 12.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.931 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 5.8 mmmt 60.89 74.33 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.002 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -50.75 61.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -73.94 -45.77 48.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.931 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -54.25 -41.99 69.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.53 ' O ' HG23 ' A' ' 59' ' ' VAL . 54.4 t80 -59.75 -41.78 91.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.727 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -41.29 96.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.77 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 54' ' ' ALA . 9.9 mt -63.22 -39.52 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.42 -46.09 87.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 55' ' ' PHE . 21.8 t -67.25 -33.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -63.51 -47.73 80.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -75.04 -35.01 61.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.784 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.5 t -69.93 -31.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -69.81 -40.26 76.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -74.89 -34.22 62.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.589 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -74.77 -44.77 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.891 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.3 pt -53.85 -34.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.133 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -45.83 39.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -50.23 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.603 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 3.5 mm-40 -61.67 -49.16 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.299 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -80.02 -54.99 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 56.91 29.66 16.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.9 177.03 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -156.82 112.47 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.922 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -90.12 159.11 43.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.89 -177.51 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.594 2.196 . . . . 0.0 112.281 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.47 142.19 24.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.82 -168.39 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.562 2.175 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.3 -112.77 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.848 HG11 ' CD ' ' A' ' 12' ' ' LYS . 5.9 m -100.25 -179.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 111.068 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -177.02 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 9' ' ' VAL . 14.6 t -93.15 30.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.431 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.2 37.64 29.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -62.99 -30.92 71.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.848 ' CD ' HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -56.12 -37.57 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.0 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.88 -42.89 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.582 ' HG2' HG22 ' A' ' 66' ' ' ILE . 3.7 ttpt -74.51 -52.12 12.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.988 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -59.87 -45.36 92.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.209 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -40.72 92.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.763 HG12 HD11 ' A' ' 21' ' ' LEU . 7.0 t -67.1 -52.39 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.721 ' HA ' HD12 ' A' ' 21' ' ' LEU . 40.2 pt -54.65 -38.18 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 18' ' ' ILE . 1.9 mt-30 -72.26 -30.98 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -40.85 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.302 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.763 HD11 HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -70.06 -34.38 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.754 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -50.04 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -34.51 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -168.68 161.51 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -37.11 77.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 t 55.0 72.69 0.46 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.01 120.77 1.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.419 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -65.37 128.19 34.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 60.82 34.56 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 30' ' ' VAL . 7.5 p -58.73 92.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.661 ' H ' HD12 ' A' ' 34' ' ' ILE . 29.6 m-20 -77.22 -175.96 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 63' ' ' PHE . 23.1 p -54.55 -55.22 31.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.81 90.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.661 HD12 ' H ' ' A' ' 31' ' ' ASP . 37.0 mt -72.42 -39.01 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -66.78 -48.99 67.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -55.36 -49.41 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.264 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.4 m -57.96 -49.69 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.79 -41.78 97.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.31 -44.11 97.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 3.4 pt20 -74.2 -29.92 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.07 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -65.64 -48.1 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.942 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.468 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 3.1 pp -73.22 -27.51 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.468 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 4.3 m-85 -112.29 33.07 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.741 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -55.31 -31.26 61.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.2 t -75.99 -31.01 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -91.21 -66.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -77.13 -43.72 33.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.91 89.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.604 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.14 -61.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -151.76 168.02 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.854 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.3 mttt 60.42 69.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -67.04 -42.37 84.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -73.85 -37.96 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.854 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -57.57 -45.78 84.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.026 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.6 t80 -60.58 -37.93 82.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -61.57 -42.34 98.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.78 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 54' ' ' ALA . 6.4 mt -65.11 -43.3 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -60.02 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 55' ' ' PHE . 38.3 t -67.62 -36.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.32 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.659 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.04 -30.95 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.765 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 66' ' ' ILE . 12.6 t -71.23 -31.54 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HB3' HG22 ' A' ' 32' ' ' THR . 74.6 t80 -69.71 -41.39 75.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.796 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 t -74.8 -33.14 62.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.611 HG22 ' HA ' ' A' ' 62' ' ' VAL . 13.1 tt -75.98 -44.07 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.794 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 62' ' ' VAL . 24.3 pt -53.74 -34.67 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -74.14 -47.1 38.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -50.33 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.83 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.606 ' OE2' HD11 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -60.36 -49.17 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.684 0.278 . . . . 0.0 111.41 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.696 ' HE2' HG21 ' A' ' 18' ' ' ILE . 6.6 mmmt -78.62 -49.89 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.905 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.88 159.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.38 -49.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -143.85 167.43 22.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.801 0.334 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -39.21 68.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.741 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.92 -41.33 77.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 66' ' ' ILE . 20.4 ttpt -75.09 -52.02 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.98 -44.85 91.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.39 -44.59 90.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 21' ' ' LEU . 10.9 t -64.75 -52.43 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.851 ' HA ' HD12 ' A' ' 21' ' ' LEU . 43.3 pt -54.46 -36.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.2 mm100 -72.23 -32.72 66.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.442 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.29 -39.0 65.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.378 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.0 -44.28 61.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.661 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -59.22 -46.81 87.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.8 p -63.57 -36.39 83.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -173.41 168.87 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.43 HG22 ' HB3' ' A' ' 63' ' ' PHE . 34.3 p -58.02 -57.28 13.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.24 -33.22 85.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.0 mt -73.09 -47.98 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.463 HD22 ' HD2' ' A' ' 63' ' ' PHE . 52.0 tp -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.691 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -63.4 -51.17 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -64.36 -32.36 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.23 -48.0 31.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.474 ' HA ' HD21 ' A' ' 42' ' ' LEU . 6.6 tp -58.99 -38.58 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -74.02 -36.24 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -62.65 -48.08 80.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD21 ' HA ' ' A' ' 39' ' ' LEU . 1.8 pp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mt -64.3 -40.8 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.56 -46.17 91.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.691 HG21 ' HA ' ' A' ' 36' ' ' ALA . 31.0 t -66.56 -33.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.76 -46.22 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -33.22 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' ILE . 17.2 t -71.16 -31.56 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.984 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HD2' HD22 ' A' ' 35' ' ' LEU . 58.4 t80 -69.67 -39.79 76.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.389 . . . . 0.0 110.715 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -74.72 -35.52 62.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.294 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.6 tt -73.74 -41.8 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.968 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.5 pt -58.27 -34.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.2 t -74.99 -47.29 29.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.268 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.4 t -74.34 -39.66 62.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.954 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -74.92 -49.75 19.14 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.4 mptp? -86.47 -49.1 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 111.243 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.94 -179.825 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.692 0.282 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -38.54 71.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.772 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.79 -38.57 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.692 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -75.04 -50.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.758 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.54 -44.82 96.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.88 -42.98 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 21' ' ' LEU . 8.7 t -66.1 -52.39 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.86 ' HA ' HD12 ' A' ' 21' ' ' LEU . 42.2 pt -54.57 -36.51 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.27 -32.68 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -37.23 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.553 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.05 -39.74 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 t -63.43 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 -42.13 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -157.39 154.97 29.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p -61.37 -57.01 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.5 -33.83 86.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.439 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.85 -46.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 63' ' ' PHE . 39.5 tp -60.48 -48.27 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' CA ' HG11 ' A' ' 59' ' ' VAL . . . -52.14 -49.89 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.347 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -50.88 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.91 -40.93 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 tp -61.59 -48.26 81.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -74.16 -29.97 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -66.15 -48.11 71.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.863 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.81 -40.44 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.36 -46.22 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.585 HG11 ' CA ' ' A' ' 36' ' ' ALA . 26.0 t -69.99 -34.89 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.27 -46.7 85.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -74.13 -35.4 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.774 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.7 t -69.72 -31.64 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.453 ' CD1' HD22 ' A' ' 35' ' ' LEU . 31.4 t80 -71.15 -39.48 71.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.838 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.78 -33.46 62.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.547 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.8 tt -75.07 -46.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.65 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 62' ' ' VAL . 32.2 pt -53.89 -36.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.672 0.272 . . . . 0.0 111.245 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -50.41 62.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -50.04 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.542 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 16.6 mm-40 -55.23 -49.28 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.656 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.769 ' HE3' HG21 ' A' ' 18' ' ' ILE . 3.7 mptp? -84.49 -53.77 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.987 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -31.8 57.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.874 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.694 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -57.63 -46.22 84.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 0.0 110.626 179.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 66' ' ' ILE . 21.6 ttpt -72.4 -52.0 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 18' ' ' ILE . 3.9 tt0 -56.99 -46.76 82.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.345 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.54 -39.44 91.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 21' ' ' LEU . 19.7 t -67.69 -52.26 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 21' ' ' LEU . 41.3 pt -54.07 -38.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.1 mt-30 -72.29 -31.2 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.007 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.446 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -72.35 -40.75 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.284 -179.607 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.818 HD11 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.13 -47.04 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.798 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 t -57.03 -49.69 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -60.63 -31.95 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -177.22 167.7 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 67.6 p -58.46 -59.11 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.79 -32.47 74.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.421 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.6 mt -73.04 -41.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -45.2 85.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.65 78.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.251 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -66.75 -42.94 85.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.87 -46.7 56.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HA ' HD21 ' A' ' 42' ' ' LEU . 5.6 tp -56.73 -38.87 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -74.09 -41.83 61.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -58.66 -48.1 82.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.152 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.446 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.3 pp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.797 0.332 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.6 mt -67.88 -34.7 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -46.24 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.9 t -70.06 -33.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.679 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 32' ' ' THR . 27.7 mt-10 -63.79 -44.56 93.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.432 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -39.09 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.515 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.4 t -64.06 -32.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -71.59 -40.78 69.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.969 0.414 . . . . 0.0 110.467 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 p -74.76 -32.18 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.364 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.567 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.1 tt -76.11 -42.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.68 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.757 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.2 pt -57.47 -34.64 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 111.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -50.57 32.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.251 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -44.57 52.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.83 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.67 -49.54 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.3 mptp? -86.37 -49.76 7.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.727 0.298 . . . . 0.0 111.179 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -179.879 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.773 0.321 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.83 -37.09 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.84 -41.31 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 110.661 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.6 ttpm? -74.71 -46.92 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.868 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -63.62 -46.71 84.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.667 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.81 HG12 HD11 ' A' ' 21' ' ' LEU . 15.4 t -66.08 -52.26 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.789 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.1 pt -54.58 -37.91 40.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 111.261 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.441 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.1 mm100 -72.28 -31.03 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -42.39 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.272 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD11 HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -73.15 -41.01 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -65.57 -48.66 71.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -67.47 -42.16 83.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -145.37 165.21 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 63' ' ' PHE . 3.3 p -61.97 -53.23 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -33.18 84.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.46 -46.3 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.53 -42.83 93.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -59.35 -42.12 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 m -66.31 -40.82 90.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.66 -48.16 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.551 ' HA ' HD21 ' A' ' 42' ' ' LEU . 5.5 tp -59.08 -34.0 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -37.59 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -63.54 -48.09 78.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 39' ' ' LEU . 1.1 pp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.9 0.381 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mt -62.47 -38.67 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.41 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' ' 36' ' ' ALA . 25.9 t -68.87 -35.02 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.38 -48.63 77.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.658 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -70.96 -36.73 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.797 ' O ' HG23 ' A' ' 66' ' ' ILE . 8.7 t -69.19 -31.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.472 ' HB3' HG22 ' A' ' 32' ' ' THR . 66.3 t80 -70.86 -39.45 72.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.904 0.383 . . . . 0.0 110.779 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 p -74.83 -33.56 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.356 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.573 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.3 tt -76.15 -42.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.8 pt -57.21 -34.75 46.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.285 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -51.9 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -50.0 21.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.431 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.32 -49.16 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.564 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HE2' HD13 ' A' ' 18' ' ' ILE . 6.8 mmmt -86.07 -55.04 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.305 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -54.89 -37.86 66.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.52 -42.99 79.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -74.28 -46.87 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.418 ' O ' HG12 ' A' ' 18' ' ' ILE . 31.3 tp60 -63.1 -50.02 72.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.363 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -63.25 -41.33 99.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 21' ' ' LEU . 4.3 t -64.66 -52.27 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.005 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.734 ' HA ' HD12 ' A' ' 21' ' ' LEU . 47.1 pt -55.75 -34.99 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.244 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.2 -32.44 66.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.482 ' OH ' HD13 ' A' ' 42' ' ' LEU . 2.4 m-85 -74.45 -40.55 61.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.08 -40.57 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -66.11 -49.36 67.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -67.22 -43.08 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -141.06 161.17 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.806 0.336 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.0 p -59.64 -53.8 53.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.18 -36.15 92.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.83 -42.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.41 -42.26 83.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CA ' HG11 ' A' ' 59' ' ' VAL . . . -59.27 -48.76 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -63.7 -37.19 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -72.28 -46.0 57.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.06 -39.42 82.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -74.13 -36.81 64.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -61.95 -48.02 82.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.482 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.1 pp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.31 -43.26 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG11 ' CA ' ' A' ' 36' ' ' ALA . 26.2 t -65.19 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.38 -46.4 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.99 -41.3 59.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.2 t -61.09 -31.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -71.1 -42.45 69.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 0.0 110.77 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.8 m -74.71 -31.66 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.486 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.587 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -76.12 -44.8 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.929 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.6 pt -53.91 -34.7 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 111.247 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -49.72 33.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.21 -50.26 19.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.038 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.66 -49.51 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.787 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.6 mptp? -86.24 -55.01 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.858 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.88 -35.23 63.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.74 -41.24 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.727 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 18' ' ' ILE . 20.5 ttpt -74.16 -50.72 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -59.37 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -62.28 -42.23 99.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.809 ' CG1' HD11 ' A' ' 21' ' ' LEU . 7.1 t -65.53 -52.53 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.762 HG21 ' HE2' ' A' ' 70' ' ' LYS . 48.0 pt -55.46 -34.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.84 0.352 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' ILE . 88.6 mt-30 -72.12 -34.05 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.516 ' OH ' HD13 ' A' ' 42' ' ' LEU . 3.7 m-85 -75.01 -39.52 61.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.809 HD11 ' CG1' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -70.71 -47.9 57.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -62.35 -45.89 91.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -64.73 -32.73 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -166.81 160.81 14.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.752 0.31 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.1 p -59.4 -57.43 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.29 -36.33 92.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.5 mt -67.29 -40.3 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD21 HG22 ' A' ' 17' ' ' VAL . 30.3 tp -67.65 -39.49 84.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -57.91 -46.11 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -67.56 -39.58 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -68.82 -48.09 64.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 39' ' ' LEU . 3.1 tp -58.84 -37.99 77.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.1 -38.11 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.11 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.516 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.1 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.745 0.307 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.56 -40.26 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.728 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.428 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -60.71 -45.97 92.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.496 HG22 HD11 ' A' ' 13' ' ' LEU . 43.1 t -66.19 -34.94 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.27 -49.39 77.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.603 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 13' ' ' LEU . 13.6 t -70.75 -31.58 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -71.07 -42.23 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 0.0 110.73 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -74.77 -31.59 61.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.477 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.5 tt -76.15 -41.82 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.86 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.7 pt -57.49 -34.77 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 1.8 p -75.04 -48.65 22.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.54 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -73.85 -39.19 64.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.621 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.05 -49.09 20.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.69 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.762 ' HE2' HG21 ' A' ' 18' ' ' ILE . 5.6 mmmt -84.96 -47.91 9.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.456 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 110.792 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.692 0.282 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -35.91 68.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.679 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.85 -41.84 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 18' ' ' ILE . 24.4 ttpt -73.19 -52.14 15.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -59.68 -47.47 85.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.454 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -64.82 -39.94 94.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.799 HG12 HD11 ' A' ' 21' ' ' LEU . 12.8 t -68.66 -52.4 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.768 ' HA ' HD12 ' A' ' 21' ' ' LEU . 31.8 pt -54.02 -38.61 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -32.43 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.467 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.799 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -71.89 -48.54 45.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.808 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.8 m -57.72 -38.18 74.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 -33.08 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -167.63 151.77 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 63' ' ' PHE . 27.7 p -59.81 -55.61 32.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.91 92.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.16 -43.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.544 HD22 ' HD1' ' A' ' 63' ' ' PHE . 12.2 tp -65.95 -50.82 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.403 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -59.0 -46.73 87.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.24 -39.19 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.75 -48.42 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.09 -30.05 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -45.71 70.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.989 -179.859 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.516 HG23 ' HE2' ' A' ' 61' ' ' LYS . 15.8 mt -66.22 -37.2 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' VAL . 63.4 mt-30 -63.78 -46.08 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.62 HG11 ' HB2' ' A' ' 36' ' ' ALA . 21.7 t -71.17 -37.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.029 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.16 -47.37 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HE2' HG23 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -73.75 -32.4 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.706 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.3 t -73.77 -31.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HD1' HD22 ' A' ' 35' ' ' LEU . 63.7 t80 -71.04 -41.21 71.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.5 p -74.89 -32.47 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.431 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.592 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.4 tt -76.15 -43.18 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 62' ' ' VAL . 29.8 pt -54.02 -34.8 27.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.851 0.357 . . . . 0.0 111.557 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -75.05 -50.8 15.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.573 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -74.37 -50.12 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.075 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.583 ' OE1' HD11 ' A' ' 65' ' ' ILE . 4.4 tt0 -64.81 -49.56 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.538 ' HE3' HG21 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -86.08 -53.72 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.688 0.28 . . . . 0.0 111.214 -179.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.192 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -39.38 69.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.814 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.58 -38.73 72.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.821 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' ILE . 22.2 ttpt -75.16 -51.96 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.752 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 1.7 tt0 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -65.96 -45.85 80.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.777 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.775 HG12 HD11 ' A' ' 21' ' ' LEU . 10.4 t -64.57 -52.28 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.843 ' HA ' HD12 ' A' ' 21' ' ' LEU . 35.3 pt -54.62 -37.85 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.373 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.5 mm100 -72.15 -30.89 65.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.58 -39.85 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.13 -46.09 53.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 110.708 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -60.31 -35.28 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -163.46 155.59 17.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.539 ' HB2' HD12 ' A' ' 34' ' ' ILE . 5.7 t0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -59.95 -59.97 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.92 85.04 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.61 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 31' ' ' ASP . 38.8 mt -71.8 -46.94 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 111.18 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.49 -43.41 89.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.678 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -59.49 -44.09 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -46.71 88.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.4 t70 -69.13 -47.04 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.46 -39.56 84.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -74.21 -35.44 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 38' ' ' ASP . 1.1 pp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.836 0.351 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.0 mt -72.53 -53.04 20.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.646 HE21 HD23 ' A' ' 13' ' ' LEU . 17.5 pt20 -58.07 -46.06 86.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.95 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' A' ' 36' ' ' ALA . 13.3 p -67.48 -32.84 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.649 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HA ' HG22 ' A' ' 32' ' ' THR . 14.1 mt-10 -62.82 -48.14 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -31.45 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.605 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.814 HG21 ' HB3' ' A' ' 13' ' ' LEU . 14.8 t -66.29 -31.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -66.31 -38.97 88.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 -36.65 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.6 HG22 ' HA ' ' A' ' 62' ' ' VAL . 13.8 tt -74.85 -43.09 46.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.984 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.0 pt -54.41 -40.29 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 66' ' ' ILE . 5.1 t -75.22 -39.64 59.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.266 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -49.04 25.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.601 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.15 -49.12 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.526 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.8 mmtp -81.14 -55.06 5.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.232 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.899 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.698 0.285 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -34.99 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.732 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -57.18 -42.53 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.719 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -74.42 -51.97 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.01 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.11 97.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.835 HG12 HD11 ' A' ' 21' ' ' LEU . 11.6 t -65.27 -52.44 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.755 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.2 pt -54.62 -36.33 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 18' ' ' ILE . 4.1 mt-30 -72.3 -31.56 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.01 -39.49 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.2 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.835 HD11 HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -73.05 -45.25 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.815 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 m -59.94 -50.09 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 t -61.55 -30.94 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.97 162.27 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.888 0.375 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -58.68 -57.86 11.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.31 88.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.21 -43.81 74.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.3 tt -60.2 -41.84 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.597 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -57.42 -49.54 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -48.32 78.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.93 -48.04 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.29 -41.4 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.04 -34.5 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -48.28 82.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.806 0.336 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 mt -61.75 -41.05 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.66 HG22 HD21 ' A' ' 13' ' ' LEU . 23.4 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.15 -46.84 88.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -33.83 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 13' ' ' LEU . 8.0 t -66.55 -31.55 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -71.1 -41.28 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.66 -31.7 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.7 tt -75.67 -46.32 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.637 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 62' ' ' VAL . 28.4 pt -53.88 -36.97 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 0.0 111.257 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -48.35 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.776 0.322 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -74.27 -50.11 20.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.653 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 6.6 mt-10 -57.99 -49.46 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.821 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.4 mptp? -82.71 -44.3 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 111.223 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.891 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -39.02 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.88 -41.66 78.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -75.03 -52.1 11.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.846 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.94 -47.23 85.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.012 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.726 HG12 HD11 ' A' ' 21' ' ' LEU . 4.0 t -65.61 -52.41 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.772 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.8 pt -55.08 -35.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' N ' HG13 ' A' ' 18' ' ' ILE . 3.0 mt-30 -72.22 -32.38 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.32 -39.64 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.03 -46.98 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.795 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -58.86 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -177.45 157.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' CB ' HD13 ' A' ' 34' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.689 0.281 . . . . 0.0 110.539 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 p -54.81 -52.09 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.66 -34.38 88.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.003 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.9 mp -77.31 -43.91 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD12 ' HD1' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -57.57 -43.91 84.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.44 74.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.55 -45.85 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.28 -48.02 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 39' ' ' LEU . 6.7 tp -58.41 -40.8 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -74.07 -37.5 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -58.3 -48.18 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.807 0.336 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.53 -39.15 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.55 -36.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -61.58 -47.71 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -75.02 -33.88 61.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 66' ' ' ILE . 10.4 t -72.13 -31.82 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.441 ' HD1' HD12 ' A' ' 35' ' ' LEU . 87.2 t80 -71.15 -40.05 71.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 0.0 110.653 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -74.8 -32.85 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.0 tt -76.08 -43.47 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 62' ' ' VAL . 35.5 pt -55.48 -34.79 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -49.23 32.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.99 -50.12 21.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.688 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HE2' HD13 ' A' ' 18' ' ' ILE . 1.6 mmmt -81.48 -48.65 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.737 0.303 . . . . 0.0 111.358 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.765 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.719 0.295 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -35.55 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -56.89 -41.46 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.536 ' O ' HG23 ' A' ' 18' ' ' ILE . 15.1 ttpt -74.51 -51.54 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.33 -47.26 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -41.64 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.747 HG12 HD11 ' A' ' 21' ' ' LEU . 6.9 t -65.97 -52.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.045 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.857 ' HA ' HD12 ' A' ' 21' ' ' LEU . 48.0 pt -55.0 -36.09 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 18' ' ' ILE . 10.2 mt-30 -72.27 -32.61 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -39.46 66.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.306 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.14 -47.99 39.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.811 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -58.43 -50.01 75.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -62.39 -37.63 86.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.41 151.54 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.729 ' HB2' HD12 ' A' ' 34' ' ' ILE . 2.0 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.803 0.335 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 60' ' ' GLU . 2.8 p -61.4 -61.38 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.51 81.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.729 HD12 ' HB2' ' A' ' 31' ' ' ASP . 35.0 mt -74.43 -47.2 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.68 -48.14 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.588 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -56.38 -52.08 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.341 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -58.25 -49.41 77.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.027 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 39' ' ' LEU . 5.6 tp -57.4 -50.71 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -69.44 -29.95 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -67.68 -47.94 68.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.064 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -179.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.839 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.34 -39.1 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.33 -46.04 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 13' ' ' LEU . 22.0 t -66.88 -31.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HA ' HG22 ' A' ' 32' ' ' THR . 1.3 mt-10 -63.04 -50.64 69.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -33.26 61.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.786 ' O ' HG23 ' A' ' 66' ' ' ILE . 3.6 t -70.45 -31.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -71.17 -37.43 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.9 m -74.79 -33.99 62.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.254 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 62' ' ' VAL . 12.2 tt -76.17 -43.01 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.791 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.786 HG23 ' O ' ' A' ' 62' ' ' VAL . 36.8 pt -56.63 -36.76 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 0.0 111.433 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -70.73 -49.67 44.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.375 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -38.55 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.879 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -49.71 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.639 ' HE3' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -86.44 -53.07 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 0.0 111.136 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.768 0.318 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -59.74 -38.33 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.742 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.68 -38.33 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.2 ttpm? -74.69 -52.08 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 18' ' ' ILE . 5.5 tp60 -61.0 -46.27 91.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.1 tpm_? -64.76 -40.75 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.806 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.77 HG12 HD11 ' A' ' 21' ' ' LEU . 10.3 t -68.5 -52.25 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.812 ' HA ' HD12 ' A' ' 21' ' ' LEU . 40.5 pt -53.45 -37.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.417 ' N ' HG13 ' A' ' 18' ' ' ILE . 25.1 mm-40 -72.14 -34.91 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.404 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.7 m-85 -68.37 -40.8 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.284 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -73.1 -42.4 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -65.14 -49.48 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -59.95 -30.29 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.27 157.66 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HB2' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.715 0.293 . . . . 0.0 110.776 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 p -58.92 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.16 94.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 31' ' ' ASP . 37.2 mt -68.34 -45.63 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.426 HD23 ' CG2' ' A' ' 59' ' ' VAL . 29.4 tp -59.04 -40.67 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.711 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 m -59.2 -45.39 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.96 -47.81 70.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.86 -41.86 92.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -38.21 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.068 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -58.4 -45.68 87.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.082 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD13 ' OH ' ' A' ' 20' ' ' TYR . 3.2 pp . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.832 0.349 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.6 mt -63.0 -40.99 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -60.64 -46.29 90.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 36' ' ' ALA . 9.5 p -75.12 -31.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.23 -50.31 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -75.02 -33.2 61.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.585 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.4 t -69.7 -31.55 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 t -74.87 -37.08 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.5 tt -72.72 -44.44 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.839 -179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.3 pt -53.8 -35.14 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 111.051 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -75.41 -45.36 39.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.293 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 m -74.08 -50.17 20.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.878 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -64.14 -49.07 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.68 -179.031 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.657 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.3 mmmp? -79.13 -39.28 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.581 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.775 0.322 . . . . 0.0 110.709 -179.616 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.771 0.32 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -55.73 -34.87 65.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.634 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -57.13 -42.55 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -74.3 -52.12 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -57.45 -48.29 79.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -64.29 -41.48 96.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.735 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.75 HG12 HD11 ' A' ' 21' ' ' LEU . 5.2 t -65.22 -52.37 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.749 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.6 pt -55.32 -36.01 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mt-30 -72.28 -31.65 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.413 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -75.12 -39.41 60.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.373 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.75 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.07 -51.05 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -47.36 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 t -60.11 -36.11 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.77 166.46 7.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.779 ' HB2' HD12 ' A' ' 34' ' ' ILE . 1.1 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.778 0.323 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.62 HG22 ' HB3' ' A' ' 63' ' ' PHE . 64.6 p -57.47 -60.44 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.88 96.48 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.66 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 31' ' ' ASP . 54.4 mt -64.5 -46.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.94 -40.5 80.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -57.56 -47.14 82.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.0 -32.83 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -45.35 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 39' ' ' LEU . 7.7 tp -60.0 -39.95 87.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -74.0 -37.67 64.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -48.04 83.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.413 HD13 ' OH ' ' A' ' 20' ' ' TYR . 3.1 pp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.3 mt -60.17 -45.35 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -46.21 91.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.676 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.427 HG21 ' HA ' ' A' ' 36' ' ' ALA . 29.8 t -67.71 -36.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.72 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.32 -45.82 92.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -34.0 64.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 66' ' ' ILE . 10.3 t -72.3 -32.0 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HB3' HG22 ' A' ' 32' ' ' THR . 65.5 t80 -71.23 -39.51 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.0 110.677 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -74.85 -33.03 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.32 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -76.16 -42.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.709 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.6 pt -58.53 -34.81 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -71.96 -50.54 28.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.431 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -42.79 59.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.612 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -49.09 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.765 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 18' ' ' ILE . 2.8 mmmt -82.95 -40.2 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.45 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 67' ' ' SER . 3.2 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -54.97 -39.35 68.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.72 -40.18 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 18' ' ' ILE . 11.4 ttpt -75.09 -52.14 11.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.406 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 tp-100 -60.6 -44.27 96.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.88 -43.66 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.849 HG12 HD11 ' A' ' 21' ' ' LEU . 11.0 t -64.7 -52.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' A' ' 21' ' ' LEU . 43.6 pt -54.24 -37.27 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 111.313 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 18' ' ' ILE . 5.3 mt-30 -72.12 -31.24 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.489 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.9 m-85 -75.1 -40.46 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.849 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.08 -37.86 66.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 0.0 110.664 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.2 p -67.8 -49.92 59.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -67.15 -42.43 84.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -142.65 165.63 26.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.543 HG21 ' OE1' ' A' ' 60' ' ' GLU . 68.2 p -59.24 -56.7 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.35 81.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.476 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -72.51 -42.03 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.1 tt -63.59 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -59.04 -45.62 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -42.9 95.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -71.99 -48.14 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -55.91 -38.53 70.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.9 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -48.13 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.489 HD13 ' OH ' ' A' ' 20' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.943 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.856 0.36 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mt -65.71 -41.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -46.15 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 36' ' ' ALA . 29.1 t -67.11 -32.4 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.543 ' OE1' HG21 ' A' ' 32' ' ' THR . 3.6 mm-40 -64.82 -48.3 74.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.643 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -74.99 -32.04 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' ILE . 8.1 t -74.52 -31.81 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB3' HG22 ' A' ' 32' ' ' THR . 53.1 t80 -71.14 -40.02 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.85 -32.87 62.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.9 tt -76.1 -44.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.711 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' VAL . 32.9 pt -53.8 -34.91 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -46.8 32.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.321 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -74.25 -50.1 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.916 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.63 -49.14 72.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.519 ' HE2' HG21 ' A' ' 18' ' ' ILE . 8.4 mmmt -80.16 -39.66 28.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.653 0.263 . . . . 0.0 111.574 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.678 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.726 0.298 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -54.87 -37.02 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.86 -41.33 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.59 179.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 18' ' ' ILE . 14.6 ttpt -75.11 -52.06 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.744 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -43.35 88.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HG3' ' CE2' ' A' ' 20' ' ' TYR . 13.5 tpp180 -66.45 -43.37 85.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.748 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.798 HG12 HD11 ' A' ' 21' ' ' LEU . 12.8 t -65.27 -52.37 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.834 ' HA ' HD12 ' A' ' 21' ' ' LEU . 39.0 pt -54.76 -37.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.246 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.0 mt-30 -72.14 -31.03 65.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.488 ' OH ' HD13 ' A' ' 42' ' ' LEU . 3.7 m-85 -74.46 -39.53 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.472 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -47.39 44.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.789 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 m -59.59 -49.97 75.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.016 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.59 -40.85 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -156.49 160.32 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.6 p -59.06 -57.57 12.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.47 -32.99 79.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.432 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.1 mt -74.3 -45.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.6 tt -60.87 -38.58 86.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.14 92.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -64.03 -39.79 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' HD23 ' A' ' 42' ' ' LEU . 25.0 t70 -71.09 -48.08 54.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.77 -40.95 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.14 -31.88 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -64.31 -48.05 77.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.488 HD13 ' OH ' ' A' ' 20' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.791 0.329 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.92 -43.75 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -60.18 -46.03 91.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.734 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG22 HD11 ' A' ' 13' ' ' LEU . 23.8 t -65.14 -31.97 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.41 -48.95 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.775 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.804 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.3 t -64.45 -31.63 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' HD2' HD12 ' A' ' 35' ' ' LEU . 45.8 t80 -69.53 -37.3 77.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -74.82 -35.34 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.0 tt -75.96 -44.23 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.931 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.804 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.4 pt -53.8 -34.69 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.275 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 p -75.09 -46.01 37.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.266 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -74.09 -50.29 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.651 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -61.53 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.387 -179.428 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HE2' HD13 ' A' ' 18' ' ' ILE . 5.5 mmmt -81.53 -55.2 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.182 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.868 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.747 0.308 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 3.9 mptt -57.34 -41.89 80.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.031 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.783 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.54 -39.27 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 11.4 ttpt -74.87 -51.7 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.737 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.89 -44.16 97.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -64.97 -43.18 93.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.805 HG12 HD11 ' A' ' 21' ' ' LEU . 7.3 t -66.22 -52.41 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.867 ' HA ' HD12 ' A' ' 21' ' ' LEU . 41.7 pt -53.87 -37.21 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 111.157 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.418 ' N ' HG13 ' A' ' 18' ' ' ILE . 22.6 mt-30 -72.24 -32.29 66.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -38.27 67.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.11 -42.29 63.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -62.94 -49.96 72.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -60.56 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -173.59 159.9 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -59.09 -57.6 12.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.64 -32.19 68.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.22 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -75.8 -45.08 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.4 tt -61.86 -43.62 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.82 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -38.5 64.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.19 -38.79 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 39' ' ' LEU . 8.3 tp -65.75 -42.61 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -74.09 -31.6 62.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.269 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -63.33 -48.0 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 179.833 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.839 0.352 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mt -66.26 -37.81 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.76 -45.05 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG22 HD11 ' A' ' 13' ' ' LEU . 38.3 t -67.73 -34.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.54 -48.59 80.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -35.73 65.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 13' ' ' LEU . 19.3 t -69.83 -31.75 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -71.08 -41.24 70.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -32.61 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.291 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.606 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.1 tt -76.04 -43.29 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.752 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 62' ' ' VAL . 28.9 pt -55.89 -35.97 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 27.1 t -75.18 -43.89 49.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -73.96 -50.1 21.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.432 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.3 -49.09 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -51.82 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.725 0.298 . . . . 0.0 111.461 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 67' ' ' SER . 4.8 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -58.43 -34.29 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.543 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.91 -40.1 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 66' ' ' ILE . 10.4 ttpt -73.44 -52.05 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.689 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 1.1 tp-100 -59.52 -43.52 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.43 -39.83 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 21' ' ' LEU . 13.9 t -68.45 -52.3 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 21' ' ' LEU . 36.4 pt -53.56 -40.1 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mm-40 -72.34 -31.02 65.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.4 -39.75 70.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.416 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -47.25 46.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.799 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -59.7 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -60.82 -31.28 70.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.14 154.85 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.761 0.315 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 p -55.86 -53.05 61.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.74 -34.09 87.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.2 mt -74.26 -40.12 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.526 HD23 ' CG1' ' A' ' 59' ' ' VAL . 51.7 tp -63.29 -43.11 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -62.18 -50.39 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -67.0 -48.08 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HA ' HD21 ' A' ' 42' ' ' LEU . 7.9 tp -60.63 -38.08 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.97 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -48.18 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 39' ' ' LEU . 1.9 pp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.791 0.329 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mt -66.41 -40.91 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -62.67 -44.83 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.786 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.526 ' CG1' HD23 ' A' ' 35' ' ' LEU . 25.9 t -68.74 -36.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.81 -54.06 47.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.34 -31.71 72.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.8 ' O ' HG23 ' A' ' 66' ' ' ILE . 4.4 t -76.52 -31.64 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.992 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.52 -38.11 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.8 t -74.84 -35.1 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.2 tt -74.8 -43.32 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.773 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.8 HG23 ' O ' ' A' ' 62' ' ' VAL . 31.6 pt -57.06 -34.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.413 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -49.33 29.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.751 0.31 . . . . 0.0 111.235 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -74.29 -35.99 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -49.38 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 3.5 mptt -86.21 -26.68 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.596 0.236 . . . . 0.0 111.399 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 ttt-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.8 -36.26 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.28 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.722 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.62 -43.11 79.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.399 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CG ' HG22 ' A' ' 66' ' ' ILE . 1.9 ttpm? -72.3 -49.08 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -61.55 -48.18 82.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.493 -179.74 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.9 tpp180 -63.2 -40.29 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.922 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.846 HG12 HD11 ' A' ' 21' ' ' LEU . 13.5 t -66.18 -52.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.059 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.761 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.0 pt -54.0 -37.7 35.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.4 mt-30 -72.28 -31.3 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.681 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -73.79 -39.96 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.33 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.846 HD11 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -50.03 25.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.2 m -56.87 -49.14 76.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -61.09 -30.16 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.95 161.79 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.869 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.345 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 p -62.03 -55.8 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.25 -35.7 79.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.406 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.495 HD12 ' H ' ' A' ' 34' ' ' ILE . 4.7 mp -78.06 -38.06 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.7 -47.2 61.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.625 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -58.46 -47.38 84.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -41.93 98.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.476 ' OD1' HD23 ' A' ' 42' ' ' LEU . 52.7 t0 -70.55 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 39' ' ' LEU . 6.1 tp -59.54 -44.23 93.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.01 -34.85 64.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -63.18 -44.12 96.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.681 HD13 ' OH ' ' A' ' 20' ' ' TYR . 3.9 pp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.852 0.358 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.3 -33.05 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.726 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -46.14 76.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG21 ' CB ' ' A' ' 36' ' ' ALA . 22.3 t -63.06 -38.75 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.769 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.17 -46.79 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -75.15 -36.89 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.699 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.7 t -66.44 -31.91 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 66' ' ' ILE . 16.8 t80 -71.25 -41.82 69.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.706 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -74.92 -32.24 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.9 tt -76.16 -42.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 62' ' ' VAL . 18.7 pt -55.26 -34.75 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 111.437 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.46 -50.89 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.319 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.7 t -73.6 -50.06 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.422 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.16 -49.12 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.605 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.2 mmmp? -83.51 -55.08 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.034 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -54.94 -42.11 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.9 -42.01 79.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 18' ' ' ILE . 3.8 ttpt -75.09 -52.14 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.031 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.06 98.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -42.0 88.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.758 HG12 HD11 ' A' ' 21' ' ' LEU . 12.2 t -67.15 -52.23 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 21' ' ' LEU . 39.3 pt -54.17 -38.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 111.196 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.6 mt-30 -72.26 -31.28 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.754 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.1 m-85 -72.27 -40.4 67.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.382 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -42.18 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 110.745 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.9 m -65.28 -50.01 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -62.36 -41.08 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -152.6 164.15 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.4 p -58.6 -57.17 14.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.05 -32.53 80.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.4 mt -76.1 -40.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.3 tt -65.2 -44.92 86.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.03 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 3.2 m -71.09 -34.48 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.761 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -43.33 35.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 39' ' ' LEU . 6.3 tp -61.0 -40.29 92.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.12 -38.87 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 37' ' ' SER . 1.4 ttt180 -58.18 -48.11 81.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.754 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.22 -39.52 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.42 -46.09 87.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.25 -33.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -63.51 -47.73 80.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -75.04 -35.01 61.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.784 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.5 t -69.93 -31.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -69.81 -40.26 76.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -74.89 -34.22 62.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.589 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -74.77 -44.77 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.891 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.3 pt -53.85 -34.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.133 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -45.83 39.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -50.23 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.603 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 3.5 mm-40 -61.67 -49.16 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.299 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -80.02 -54.99 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.731 0.3 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -37.57 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.754 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.88 -42.89 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.582 ' HG2' HG22 ' A' ' 66' ' ' ILE . 3.7 ttpt -74.51 -52.12 12.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.988 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -59.87 -45.36 92.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.209 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -40.72 92.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.763 HG12 HD11 ' A' ' 21' ' ' LEU . 7.0 t -67.1 -52.39 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.721 ' HA ' HD12 ' A' ' 21' ' ' LEU . 40.2 pt -54.65 -38.18 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 18' ' ' ILE . 1.9 mt-30 -72.26 -30.98 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -40.85 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.302 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.763 HD11 HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -70.06 -34.38 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.754 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -50.04 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -34.51 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -168.68 161.51 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 63' ' ' PHE . 23.1 p -54.55 -55.22 31.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.81 90.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mt -72.42 -39.01 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -66.78 -48.99 67.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -55.36 -49.41 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.264 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.4 m -57.96 -49.69 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.79 -41.78 97.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.31 -44.11 97.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 41' ' ' ARG . 3.4 pt20 -74.2 -29.92 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.07 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -65.64 -48.1 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.942 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.11 -43.3 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -60.02 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 HD11 ' A' ' 13' ' ' LEU . 38.3 t -67.62 -36.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.32 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.659 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.04 -30.95 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.765 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 66' ' ' ILE . 12.6 t -71.23 -31.54 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HB3' HG22 ' A' ' 32' ' ' THR . 74.6 t80 -69.71 -41.39 75.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.796 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 t -74.8 -33.14 62.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.611 HG22 ' HA ' ' A' ' 62' ' ' VAL . 13.1 tt -75.98 -44.07 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.794 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 62' ' ' VAL . 24.3 pt -53.74 -34.67 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -74.14 -47.1 38.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -50.33 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.83 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.606 ' OE2' HD11 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -60.36 -49.17 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.684 0.278 . . . . 0.0 111.41 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.696 ' HE2' HG21 ' A' ' 18' ' ' ILE . 6.6 mmmt -78.62 -49.89 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.905 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -94.01 151.68 39.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.26 -165.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.589 2.193 . . . . 0.0 112.148 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -101.16 105.88 41.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.89 -44.29 13.55 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.508 2.139 . . . . 0.0 112.207 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.98 -26.17 1.44 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.428 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.804 HG12 ' HB3' ' A' ' 11' ' ' ARG . 12.9 m -100.11 125.56 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.74 129.32 56.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.3 t 68.03 -69.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.251 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -165.92 55.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.804 ' HB3' HG12 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -68.96 -30.81 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.969 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HD2' HG21 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -54.9 -39.21 68.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.741 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.92 -41.33 77.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.816 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 66' ' ' ILE . 20.4 ttpt -75.09 -52.02 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.98 -44.85 91.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -64.39 -44.59 90.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 21' ' ' LEU . 10.9 t -64.75 -52.43 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.851 ' HA ' HD12 ' A' ' 21' ' ' LEU . 43.3 pt -54.46 -36.03 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.2 mm100 -72.23 -32.72 66.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.442 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.29 -39.0 65.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.378 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.0 -44.28 61.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.661 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -59.22 -46.81 87.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.8 p -63.57 -36.39 83.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -173.41 168.87 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -35.16 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.77 31.31 20.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.96 162.12 9.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -90.53 101.23 13.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 57.26 59.59 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 30' ' ' VAL . 11.3 p -69.88 116.57 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.544 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -88.73 -175.89 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.43 HG22 ' HB3' ' A' ' 63' ' ' PHE . 34.3 p -58.02 -57.28 13.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.24 -33.22 85.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD12 ' H ' ' A' ' 31' ' ' ASP . 27.0 mt -73.09 -47.98 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' HB2' HG22 ' A' ' 30' ' ' VAL . 52.0 tp -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.691 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -63.4 -51.17 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -64.36 -32.36 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.23 -48.0 31.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.474 ' HA ' HD21 ' A' ' 42' ' ' LEU . 6.6 tp -58.99 -38.58 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 5.6 pt20 -74.02 -36.24 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -62.65 -48.08 80.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 43' ' ' TYR . 1.8 pp -70.47 -32.05 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CG ' HD12 ' A' ' 42' ' ' LEU . 6.3 m-85 -115.86 52.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.749 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 -29.9 69.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.8 p -76.0 -31.96 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -99.76 -67.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -72.92 -35.83 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.118 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.27 89.65 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -122.94 -163.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.816 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -96.13 38.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -133.52 70.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.724 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -67.07 -43.06 83.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.159 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -73.18 -48.07 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -60.25 -50.04 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 59' ' ' VAL . 32.1 t80 -58.35 -38.63 77.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -43.14 98.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.811 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 54' ' ' ALA . 14.4 mt -64.3 -40.8 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.56 -46.17 91.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.691 HG21 ' HA ' ' A' ' 36' ' ' ALA . 31.0 t -66.56 -33.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.76 -46.22 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -33.22 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' ILE . 17.2 t -71.16 -31.56 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.984 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HD2' HD22 ' A' ' 35' ' ' LEU . 58.4 t80 -69.67 -39.79 76.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.389 . . . . 0.0 110.715 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -74.72 -35.52 62.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.294 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.6 tt -73.74 -41.8 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.968 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.5 pt -58.27 -34.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.2 t -74.99 -47.29 29.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.268 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.4 t -74.34 -39.66 62.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.954 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -74.92 -49.75 19.14 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.4 mptp? -86.47 -49.1 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 111.243 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.94 85.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.94 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.01 -44.75 7.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.752 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 59.58 106.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.845 0.355 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.28 153.4 37.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.44 0.27 10.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.672 2.248 . . . . 0.0 112.798 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -57.42 135.0 81.75 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.28 -168.57 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.479 2.119 . . . . 0.0 112.327 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.48 -105.25 0.45 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.622 HG11 ' HZ2' ' A' ' 12' ' ' LYS . 27.5 m -98.57 153.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.235 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -60.46 -178.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.759 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -59.92 97.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 t0 59.47 57.52 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -60.58 -30.93 70.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.001 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.622 ' HZ2' HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -56.38 -38.54 71.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.772 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.79 -38.57 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.692 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -75.04 -50.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.758 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.54 -44.82 96.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.88 -42.98 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 21' ' ' LEU . 8.7 t -66.1 -52.39 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.86 ' HA ' HD12 ' A' ' 21' ' ' LEU . 42.2 pt -54.57 -36.51 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.27 -32.68 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -37.23 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.553 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.05 -39.74 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 t -63.43 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.17 -42.13 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -157.39 154.97 29.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -31.62 64.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 62.55 46.16 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.36 12.9 7.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 62.4 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.709 0.29 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -105.68 46.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.029 0.442 . . . . 0.0 110.778 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 35' ' ' LEU . 11.3 p -58.39 117.67 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.246 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -175.4 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p -61.37 -57.01 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.5 -33.83 86.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.439 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.85 -46.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.524 ' HB2' HG22 ' A' ' 30' ' ' VAL . 39.5 tp -60.48 -48.27 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' CA ' HG11 ' A' ' 59' ' ' VAL . . . -52.14 -49.89 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.347 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -50.88 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.91 -40.93 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' HE2' ' A' ' 47' ' ' TYR . 9.8 tp -61.59 -48.26 81.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -74.16 -29.97 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -66.15 -48.11 71.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.488 HD12 ' CG ' ' A' ' 43' ' ' TYR . 2.9 pp -69.71 -31.62 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.488 ' CG ' HD12 ' A' ' 42' ' ' LEU . 3.6 m-85 -111.43 44.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.784 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 p -58.19 -30.08 66.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.66 -43.62 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.256 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -83.15 -59.69 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.428 ' HE2' HD23 ' A' ' 39' ' ' LEU . 2.6 m-85 -63.16 -62.17 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.17 -139.69 25.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.57 110.05 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -122.72 -43.35 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.849 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 1.6 tttp -144.8 96.73 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.767 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -54.05 -52.74 59.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.266 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.621 ' ND2' HD11 ' A' ' 57' ' ' ILE . 1.9 t30 -58.81 -47.95 83.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.849 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -63.19 -49.67 73.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -57.18 -36.3 70.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.088 -179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -66.94 -43.5 83.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.621 HD11 ' ND2' ' A' ' 53' ' ' ASN . 10.7 mt -66.81 -40.44 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.36 -46.22 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 55' ' ' PHE . 26.0 t -69.99 -34.89 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.27 -46.7 85.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -74.13 -35.4 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.774 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.7 t -69.72 -31.64 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.453 ' CD1' HD22 ' A' ' 35' ' ' LEU . 31.4 t80 -71.15 -39.48 71.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.838 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.78 -33.46 62.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.547 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.8 tt -75.07 -46.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.65 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 62' ' ' VAL . 32.2 pt -53.89 -36.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.672 0.272 . . . . 0.0 111.245 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -50.41 62.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -50.04 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.542 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 16.6 mm-40 -55.23 -49.28 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.656 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.769 ' HE3' HG21 ' A' ' 18' ' ' ILE . 3.7 mptp? -84.49 -53.77 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.987 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 60.58 -178.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.1 mt -123.82 98.0 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -129.08 31.51 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.887 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.823 0.344 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -85.42 148.55 49.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.52 164.82 34.46 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.561 2.174 . . . . 0.0 112.196 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' CB ' ' HD3' ' A' ' 5' ' ' PRO . 4.2 mtt180 -82.81 -51.6 0.69 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 4' ' ' ARG . 17.0 Cg_exo -66.93 80.33 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.588 2.192 . . . . 0.0 112.154 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.18 127.24 3.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -99.58 173.41 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.53 100.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 t 67.63 -71.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.2 64.94 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.969 0.414 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -30.43 71.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -31.8 57.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.874 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.694 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -57.63 -46.22 84.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 0.0 110.626 179.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 66' ' ' ILE . 21.6 ttpt -72.4 -52.0 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 18' ' ' ILE . 3.9 tt0 -56.99 -46.76 82.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.345 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.54 -39.44 91.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 21' ' ' LEU . 19.7 t -67.69 -52.26 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 21' ' ' LEU . 41.3 pt -54.07 -38.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.1 mt-30 -72.29 -31.2 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.007 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.446 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -72.35 -40.75 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.284 -179.607 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.818 HD11 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.13 -47.04 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.798 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 t -57.03 -49.69 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -60.63 -31.95 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -177.22 167.7 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -58.81 -36.76 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 60.1 29.81 19.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.37 149.78 6.03 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.561 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -77.28 100.97 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 60.23 53.05 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 30' ' ' VAL . 10.9 p -58.83 111.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.609 ' H ' HD12 ' A' ' 34' ' ' ILE . 1.3 t0 -84.95 -179.86 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 67.6 p -58.46 -59.11 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.79 -32.47 74.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.421 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.609 HD12 ' H ' ' A' ' 31' ' ' ASP . 31.6 mt -73.04 -41.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -45.2 85.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.65 78.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.251 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -66.75 -42.94 85.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.87 -46.7 56.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HA ' HD21 ' A' ' 42' ' ' LEU . 5.6 tp -56.73 -38.87 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 7.1 mt-30 -74.09 -41.83 61.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -58.66 -48.1 82.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.152 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.3 pp -70.13 -33.31 71.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CD2' HD12 ' A' ' 42' ' ' LEU . 5.2 m-85 -115.26 53.32 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.891 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.5 p -65.87 -43.78 87.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.94 -38.22 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.92 -43.45 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -105.73 -65.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.95 -95.55 1.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.457 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -157.16 -75.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.636 0.255 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 60.54 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.706 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -118.0 103.5 9.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.774 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.76 -40.07 88.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -74.04 -47.75 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.706 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -61.42 -48.71 79.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.283 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 59' ' ' VAL . 14.0 t80 -59.16 -41.45 88.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.828 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -59.02 -43.19 91.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.675 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 54' ' ' ALA . 11.6 mt -67.88 -34.7 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -46.24 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 55' ' ' PHE . 27.9 t -70.06 -33.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.679 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 32' ' ' THR . 27.7 mt-10 -63.79 -44.56 93.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.432 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -39.09 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.515 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.4 t -64.06 -32.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -71.59 -40.78 69.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.969 0.414 . . . . 0.0 110.467 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 p -74.76 -32.18 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.364 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.567 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.1 tt -76.11 -42.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.68 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.757 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.2 pt -57.47 -34.64 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 111.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.06 -50.57 32.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.251 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -44.57 52.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.83 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.67 -49.54 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.3 mptp? -86.37 -49.76 7.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.727 0.298 . . . . 0.0 111.179 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 61.13 155.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.538 HD23 ' HG2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -78.82 83.73 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' HG2' HD23 ' A' ' 72' ' ' LEU . 29.4 pttt 43.67 56.4 4.53 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.381 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.864 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.775 0.322 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -81.65 138.88 47.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.53 54.68 5.24 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.633 2.222 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 58.19 86.35 0.16 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.3 -167.79 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.568 2.178 . . . . 0.0 112.406 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.93 -111.1 3.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.9 t 61.66 114.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -89.68 -75.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.0 t -150.42 -56.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.7 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.33 16.43 24.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -30.58 69.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.83 -37.09 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.84 -41.31 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 110.661 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.6 ttpm? -74.71 -46.92 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.868 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -63.62 -46.71 84.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.667 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.81 HG12 HD11 ' A' ' 21' ' ' LEU . 15.4 t -66.08 -52.26 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.789 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.1 pt -54.58 -37.91 40.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 111.261 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.441 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.1 mm100 -72.28 -31.03 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -42.39 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.272 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD11 HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -73.15 -41.01 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -65.57 -48.66 71.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -67.47 -42.16 83.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -145.37 165.21 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -71.65 -25.45 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m 63.9 38.85 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.29 -11.93 57.0 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.855 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 70.14 -66.54 0.27 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.799 0.333 . . . . 0.0 110.795 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -85.34 65.58 9.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 30' ' ' VAL . 9.5 p -118.37 107.92 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.582 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -87.49 -168.13 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 63' ' ' PHE . 3.3 p -61.97 -53.23 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -33.18 84.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.582 HD12 ' H ' ' A' ' 31' ' ' ASP . 26.6 mt -72.46 -46.3 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB2' HG22 ' A' ' 30' ' ' VAL . 66.2 tp -59.53 -42.83 93.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -59.35 -42.12 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 m -66.31 -40.82 90.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.66 -48.16 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.551 ' HA ' HD21 ' A' ' 42' ' ' LEU . 5.5 tp -59.08 -34.0 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -37.59 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -63.54 -48.09 78.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 39' ' ' LEU . 1.1 pp -68.07 -33.14 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.521 ' CD2' HD12 ' A' ' 42' ' ' LEU . 7.9 m-85 -119.44 47.71 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.747 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -66.18 -36.42 83.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.0 m -76.06 -30.89 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.45 -68.55 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -71.95 -45.45 61.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.054 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -55.87 110.21 1.81 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.576 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -120.9 -69.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -177.47 -33.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HD2' ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -83.59 86.35 7.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 111.034 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -67.18 -46.72 73.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -56.49 -48.12 77.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.696 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -61.41 -50.01 74.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.9 t80 -60.3 -36.15 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.685 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -62.66 -44.26 96.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.651 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.7 mt -62.47 -38.67 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.41 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' ' 36' ' ' ALA . 25.9 t -68.87 -35.02 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.38 -48.63 77.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.658 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -70.96 -36.73 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.797 ' O ' HG23 ' A' ' 66' ' ' ILE . 8.7 t -69.19 -31.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.472 ' HB3' HG22 ' A' ' 32' ' ' THR . 66.3 t80 -70.86 -39.45 72.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.904 0.383 . . . . 0.0 110.779 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 p -74.83 -33.56 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.356 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.573 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.3 tt -76.15 -42.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.8 pt -57.21 -34.75 46.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.285 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -51.9 30.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -50.0 21.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.431 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.32 -49.16 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.564 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HE2' HD13 ' A' ' 18' ' ' ILE . 6.8 mmmt -86.07 -55.04 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.305 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.58 44.24 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.4 mt 63.71 128.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -87.32 84.69 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.872 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.771 0.32 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.98 153.41 44.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.86 -165.68 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.68 2.253 . . . . 0.0 112.275 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.92 157.22 2.91 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.55 155.88 6.91 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.589 2.192 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.24 111.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 12' ' ' LYS . 29.7 m -61.11 159.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -93.48 82.6 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.1 t 68.73 -68.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.212 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.79 28.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -60.78 -30.78 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.591 ' HB3' HG11 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -54.89 -37.86 66.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.52 -42.99 79.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -74.28 -46.87 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.418 ' O ' HG12 ' A' ' 18' ' ' ILE . 31.3 tp60 -63.1 -50.02 72.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.363 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -63.25 -41.33 99.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 21' ' ' LEU . 4.3 t -64.66 -52.27 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.005 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.734 ' HA ' HD12 ' A' ' 21' ' ' LEU . 47.1 pt -55.75 -34.99 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.244 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' HG13 ' A' ' 18' ' ' ILE . 39.5 mt-30 -72.2 -32.44 66.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.482 ' OH ' HD13 ' A' ' 42' ' ' LEU . 2.4 m-85 -74.45 -40.55 61.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.08 -40.57 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 t -66.11 -49.36 67.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -67.22 -43.08 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -141.06 161.17 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -71.29 -31.64 67.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.3 p 40.74 46.41 2.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.614 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.89 103.43 2.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -59.32 -30.53 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.57 31.0 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.616 ' O ' HG13 ' A' ' 30' ' ' VAL . 10.9 p -64.3 107.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.642 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -82.89 -173.87 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.0 p -59.64 -53.8 53.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.18 -36.15 92.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.642 HD12 ' H ' ' A' ' 31' ' ' ASP . 34.7 mt -67.83 -42.04 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.41 -42.26 83.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CA ' HG11 ' A' ' 59' ' ' VAL . . . -59.27 -48.76 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -63.7 -37.19 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -72.28 -46.0 57.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.06 -39.42 82.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -74.13 -36.81 64.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -61.95 -48.02 82.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.526 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -70.86 -34.41 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.526 ' CD2' HD12 ' A' ' 42' ' ' LEU . 6.8 m-85 -117.46 50.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.4 t -65.49 -31.4 72.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -76.08 -35.87 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.27 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.1 -66.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HE2' HD22 ' A' ' 13' ' ' LEU . 4.1 m-85 -67.68 -48.98 65.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.7 96.99 0.23 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.637 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.74 -70.08 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -151.01 -175.06 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.777 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER 59.98 67.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -50.78 61.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.81 -48.05 67.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.852 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -60.38 -43.7 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.641 ' O ' HG23 ' A' ' 59' ' ' VAL . 51.3 t80 -58.41 -41.32 84.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.769 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -62.25 -43.87 97.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.764 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.2 mt -61.31 -43.26 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 55' ' ' PHE . 26.2 t -65.19 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.38 -46.4 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.99 -41.3 59.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.2 t -61.09 -31.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -71.1 -42.45 69.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 0.0 110.77 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.8 m -74.71 -31.66 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.486 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.587 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -76.12 -44.8 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.929 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 62' ' ' VAL . 23.6 pt -53.91 -34.7 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 111.247 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -49.72 33.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.21 -50.26 19.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.038 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.66 -49.51 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.787 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.6 mptp? -86.24 -55.01 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 61.1 157.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.13 146.93 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.22 171.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.2 p30 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.953 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -84.7 145.94 45.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.02 61.18 4.76 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.575 2.183 . . . . 0.0 112.364 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' CB ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -88.04 -52.37 0.39 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 4' ' ' ARG . 32.7 Cg_exo -61.34 -59.02 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.497 2.131 . . . . 0.0 112.213 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.41 53.91 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG12 ' CD ' ' A' ' 12' ' ' LYS . 28.6 m -90.64 160.62 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -149.68 92.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.771 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.8 t 68.9 -67.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -170.04 41.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -61.07 -30.99 70.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' CD ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -54.88 -35.23 63.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.74 -41.24 77.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.727 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 18' ' ' ILE . 20.5 ttpt -74.16 -50.72 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -59.37 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -62.28 -42.23 99.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.809 ' CG1' HD11 ' A' ' 21' ' ' LEU . 7.1 t -65.53 -52.53 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.762 HG21 ' HE2' ' A' ' 70' ' ' LYS . 48.0 pt -55.46 -34.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.84 0.352 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' ILE . 88.6 mt-30 -72.12 -34.05 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.516 ' OH ' HD13 ' A' ' 42' ' ' LEU . 3.7 m-85 -75.01 -39.52 61.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.809 HD11 ' CG1' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -70.71 -47.9 57.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -62.35 -45.89 91.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -64.73 -32.73 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -166.81 160.81 14.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -37.75 87.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 t 60.34 80.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.08 -141.35 15.49 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.4 -70.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -113.38 46.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.583 ' O ' HG13 ' A' ' 30' ' ' VAL . 11.4 p -58.81 111.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.588 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -87.07 -177.15 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.993 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.1 p -59.4 -57.43 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.29 -36.33 92.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.588 HD12 ' H ' ' A' ' 31' ' ' ASP . 40.5 mt -67.29 -40.3 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD21 HG22 ' A' ' 17' ' ' VAL . 30.3 tp -67.65 -39.49 84.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -57.91 -46.11 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -67.56 -39.58 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -68.82 -48.09 64.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 39' ' ' LEU . 3.1 tp -58.84 -37.99 77.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 55' ' ' PHE . 10.0 mt-30 -74.1 -38.11 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.11 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.529 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -71.86 -34.09 68.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.529 ' CD2' HD12 ' A' ' 42' ' ' LEU . 6.0 m-85 -114.3 43.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.95 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -60.62 -40.47 92.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 46' ' ' ASP . 36.0 m -73.83 -42.6 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' N ' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -66.79 -41.13 88.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -98.17 -80.82 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.769 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 47.78 87.24 0.01 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.749 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -137.41 137.22 38.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.995 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -24.28 67.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.995 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.902 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 5.3 mtmp? -63.09 79.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.987 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -52.61 39.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -70.53 -47.44 60.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.902 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -56.24 -47.97 77.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.2 t80 -60.17 -39.25 85.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -62.37 -44.07 97.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.764 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 54' ' ' ALA . 23.3 mt -60.56 -40.26 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.728 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.428 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -60.71 -45.97 92.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.496 HG22 HD11 ' A' ' 13' ' ' LEU . 43.1 t -66.19 -34.94 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.27 -49.39 77.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.603 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 13' ' ' LEU . 13.6 t -70.75 -31.58 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -71.07 -42.23 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 0.0 110.73 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -74.77 -31.59 61.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.477 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.5 tt -76.15 -41.82 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.86 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.7 pt -57.49 -34.77 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 1.8 p -75.04 -48.65 22.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.54 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -73.85 -39.19 64.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.621 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.05 -49.09 20.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.69 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.762 ' HE2' HG21 ' A' ' 18' ' ' ILE . 5.6 mmmt -84.96 -47.91 9.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.456 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' SER . 0.8 OUTLIER 65.99 73.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 110.792 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.59 -168.54 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.786 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -164.51 -44.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.939 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.811 0.339 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -69.99 148.37 96.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.4 0.09 10.24 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.575 2.183 . . . . 0.0 112.853 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.56 133.87 93.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.815 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.15 -44.05 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.501 2.134 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.77 -95.53 0.24 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.556 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.1 t 63.94 132.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -137.0 -52.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 m -56.14 -28.11 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.351 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.63 -45.64 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.068 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -67.34 -39.73 85.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -35.91 68.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.679 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.85 -41.84 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 18' ' ' ILE . 24.4 ttpt -73.19 -52.14 15.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -59.68 -47.47 85.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.454 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HD3' ' CE2' ' A' ' 43' ' ' TYR . 1.7 tpm_? -64.82 -39.94 94.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG12 HD11 ' A' ' 21' ' ' LEU . 12.8 t -68.66 -52.4 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.768 ' HA ' HD12 ' A' ' 21' ' ' LEU . 31.8 pt -54.02 -38.61 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -32.43 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.97 -38.85 66.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.467 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.799 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -71.89 -48.54 45.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.808 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.8 m -57.72 -38.18 74.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 -33.08 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -167.63 151.77 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -59.08 -39.87 83.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.6 t 59.44 71.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.04 142.5 11.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.416 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.41 -32.41 74.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -155.46 53.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.795 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 30' ' ' VAL . 11.4 p -61.27 109.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -89.11 -171.32 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 63' ' ' PHE . 27.7 p -59.81 -55.61 32.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.91 92.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.543 HD12 ' H ' ' A' ' 31' ' ' ASP . 32.9 mt -71.16 -43.27 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.544 HD22 ' HD1' ' A' ' 63' ' ' PHE . 12.2 tp -65.95 -50.82 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.403 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -59.0 -46.73 87.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.24 -39.19 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.75 -48.42 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.09 -30.05 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -45.71 70.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.99 -35.22 59.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.989 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE2' ' HD3' ' A' ' 16' ' ' ARG . 1.4 m-85 -104.54 43.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.825 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -30.14 65.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.0 m -74.71 -32.07 28.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.05 -56.2 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -83.45 -73.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.12 -116.95 5.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -158.52 30.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.744 0.307 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -86.7 135.61 33.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.928 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.1 mmtm 60.36 88.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -67.13 -59.88 3.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.037 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -65.54 -46.65 78.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -57.29 -47.65 80.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.204 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 59' ' ' VAL . 76.7 t80 -58.87 -38.86 79.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.862 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -61.3 -41.19 96.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.685 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 54' ' ' ALA . 15.8 mt -66.22 -37.2 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' VAL . 63.4 mt-30 -63.78 -46.08 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.62 HG11 ' HB2' ' A' ' 36' ' ' ALA . 21.7 t -71.17 -37.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.029 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.16 -47.37 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HE2' HG23 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -73.75 -32.4 63.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.706 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.3 t -73.77 -31.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HD1' HD22 ' A' ' 35' ' ' LEU . 63.7 t80 -71.04 -41.21 71.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.965 0.412 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.5 p -74.89 -32.47 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.431 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.592 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.4 tt -76.15 -43.18 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 62' ' ' VAL . 29.8 pt -54.02 -34.8 27.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.851 0.357 . . . . 0.0 111.557 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -75.05 -50.8 15.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.573 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -74.37 -50.12 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.075 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.583 ' OE1' HD11 ' A' ' 65' ' ' ILE . 4.4 tt0 -64.81 -49.56 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.538 ' HE3' HG21 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -86.08 -53.72 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.688 0.28 . . . . 0.0 111.214 -179.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 45.9 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.192 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.03 144.43 39.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? 61.35 178.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.892 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 147.02 35.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.96 96.8 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.567 2.178 . . . . 0.0 112.39 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.73 87.92 0.13 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.51 159.26 6.6 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.535 2.157 . . . . 0.0 112.269 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.36 61.43 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.19 64.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.906 0.384 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -134.29 109.61 8.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.9 t 67.76 -70.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.232 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -154.98 31.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -59.38 -30.9 68.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -39.38 69.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.814 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.58 -38.73 72.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.821 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' ILE . 22.2 ttpt -75.16 -51.96 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.752 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 1.7 tt0 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -65.96 -45.85 80.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.777 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.775 HG12 HD11 ' A' ' 21' ' ' LEU . 10.4 t -64.57 -52.28 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.843 ' HA ' HD12 ' A' ' 21' ' ' LEU . 35.3 pt -54.62 -37.85 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 111.373 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 18' ' ' ILE . 9.5 mm100 -72.15 -30.89 65.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.58 -39.85 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.13 -46.09 53.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.875 0.369 . . . . 0.0 110.708 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -60.31 -35.28 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -163.46 155.59 17.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -32.47 74.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.0 t 58.3 40.54 24.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.37 25.95 3.89 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.22 -68.64 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.76 0.314 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -137.26 102.17 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.826 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 35' ' ' LEU . 2.6 t -83.04 132.81 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.539 ' HB2' HD12 ' A' ' 34' ' ' ILE . 5.7 t0 -90.39 174.16 7.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -59.95 -59.97 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.92 85.04 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.61 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 31' ' ' ASP . 38.8 mt -71.8 -46.94 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 111.18 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HB2' HG12 ' A' ' 30' ' ' VAL . 55.2 tp -58.49 -43.41 89.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.678 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -59.49 -44.09 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -46.71 88.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.4 t70 -69.13 -47.04 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' CZ ' ' A' ' 55' ' ' PHE . 5.7 tp -59.46 -39.56 84.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 2.0 tt0 -74.21 -35.44 63.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.1 pp -76.1 -36.2 59.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD2' HD12 ' A' ' 42' ' ' LEU . 6.0 m-85 -115.15 49.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -50.08 65.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.84 -31.0 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.35 -29.34 57.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.531 ' CD2' ' CE1' ' A' ' 55' ' ' PHE . 20.2 m-85 -118.01 -69.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -50.63 94.41 0.01 OUTLIER Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.676 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -139.44 84.91 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.007 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.79 36.96 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 2.0 pttt -177.86 62.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.428 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -39.99 86.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.11 -41.34 86.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 51' ' ' LYS . . . -54.89 -37.47 66.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.721 ' O ' HG12 ' A' ' 59' ' ' VAL . 71.3 t80 -68.48 -33.82 74.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -68.57 -33.85 74.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.721 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.0 mt -72.53 -53.04 20.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.646 HE21 HD23 ' A' ' 13' ' ' LEU . 17.5 pt20 -58.07 -46.06 86.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.95 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 55' ' ' PHE . 13.3 p -67.48 -32.84 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.649 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HA ' HG22 ' A' ' 32' ' ' THR . 14.1 mt-10 -62.82 -48.14 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -31.45 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.605 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.814 HG21 ' HB3' ' A' ' 13' ' ' LEU . 14.8 t -66.29 -31.7 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -66.31 -38.97 88.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 -36.65 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.6 HG22 ' HA ' ' A' ' 62' ' ' VAL . 13.8 tt -74.85 -43.09 46.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.984 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.0 pt -54.41 -40.29 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 66' ' ' ILE . 5.1 t -75.22 -39.64 59.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.266 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -49.04 25.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.601 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.15 -49.12 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.526 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.8 mmtp -81.14 -55.06 5.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.232 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 60.91 173.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.8 tp -157.87 111.09 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -159.94 115.0 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.897 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 143.94 35.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.47 116.23 4.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.547 2.165 . . . . 0.0 112.448 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 58.64 74.41 0.61 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.82 172.8 15.6 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.592 2.194 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.44 -173.84 42.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.548 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.461 HG13 ' HD2' ' A' ' 12' ' ' LYS . 25.6 m -109.72 -178.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -84.52 -77.02 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.998 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 9' ' ' VAL . 9.6 p -111.98 59.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t0 58.17 45.54 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -30.78 65.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HD2' HG13 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -55.05 -34.99 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.732 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -57.18 -42.53 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.719 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -74.42 -51.97 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.01 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' NE ' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -63.82 -42.11 97.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.835 HG12 HD11 ' A' ' 21' ' ' LEU . 11.6 t -65.27 -52.44 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.755 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.2 pt -54.62 -36.33 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 18' ' ' ILE . 4.1 mt-30 -72.3 -31.56 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.01 -39.49 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.2 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.835 HD11 HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -73.05 -45.25 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.815 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 m -59.94 -50.09 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 t -61.55 -30.94 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.97 162.27 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -63.47 -40.59 97.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 59.57 85.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.76 143.12 12.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.426 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -59.59 -49.39 77.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -149.18 89.28 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 30' ' ' VAL . 11.8 p -90.02 113.38 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -85.53 179.38 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -58.68 -57.86 11.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.31 88.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.426 HD12 ' H ' ' A' ' 31' ' ' ASP . 33.5 mt -71.21 -43.81 74.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 111.176 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.3 tt -60.2 -41.84 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.597 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -57.42 -49.54 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -48.32 78.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.93 -48.04 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD23 ' HE2' ' A' ' 47' ' ' TYR . 5.7 tp -59.29 -41.4 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.04 -34.5 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -48.28 82.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -70.92 -27.4 63.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.576 ' CD2' HD12 ' A' ' 42' ' ' LEU . 10.2 m-85 -117.76 52.1 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 110.756 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.2 p -63.91 -29.8 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.7 p -73.61 -32.6 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.416 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -104.61 -65.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' HE2' HD22 ' A' ' 13' ' ' LEU . 3.6 m-85 -62.47 -28.69 70.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.324 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -56.37 103.41 0.26 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.601 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -124.45 178.43 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -83.73 -31.4 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.868 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -82.56 82.64 7.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -66.2 -47.84 72.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' OD1' HD11 ' A' ' 57' ' ' ILE . 11.5 t-20 -64.66 -48.03 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -58.79 -50.0 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.2 t80 -58.77 -40.61 84.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -42.87 95.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.725 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.887 HD12 ' HA ' ' A' ' 54' ' ' ALA . 6.7 mt -61.75 -41.05 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.66 HG22 HD21 ' A' ' 13' ' ' LEU . 23.4 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.15 -46.84 88.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -33.83 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 13' ' ' LEU . 8.0 t -66.55 -31.55 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -71.1 -41.28 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.66 -31.7 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.7 tt -75.67 -46.32 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.637 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 62' ' ' VAL . 28.4 pt -53.88 -36.97 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 0.0 111.257 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -48.35 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.776 0.322 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -74.27 -50.11 20.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.653 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 6.6 mt-10 -57.99 -49.46 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.821 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 1.4 mptp? -82.71 -44.3 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 111.223 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 63.43 149.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.1 pp -59.88 137.64 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.8 97.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.995 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.782 0.325 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -99.89 139.68 20.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.11 1.69 9.05 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.641 2.227 . . . . 0.0 112.817 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -138.14 96.5 10.12 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.963 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.52 136.54 33.88 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.449 2.099 . . . . 0.0 112.32 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.55 131.97 1.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 8' ' ' PHE . 11.2 p -163.08 158.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 111.058 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.49 ' N ' HG22 ' A' ' 7' ' ' VAL . 2.2 t80 61.51 177.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 9' ' ' VAL . 15.2 t 64.55 29.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.11 81.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -68.94 -30.93 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -39.02 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.88 -41.66 78.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.861 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -75.03 -52.1 11.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.846 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.94 -47.23 85.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.012 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.726 HG12 HD11 ' A' ' 21' ' ' LEU . 4.0 t -65.61 -52.41 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.772 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.8 pt -55.08 -35.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' N ' HG13 ' A' ' 18' ' ' ILE . 3.0 mt-30 -72.22 -32.38 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.32 -39.64 62.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.03 -46.98 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.795 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -58.86 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -177.45 157.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -39.05 82.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.96 51.69 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.43 25.34 4.38 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.608 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mttm 62.73 -79.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.755 0.312 . . . . 0.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -122.92 117.07 24.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.818 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG11 ' HG ' ' A' ' 35' ' ' LEU . 5.1 t -105.45 135.09 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.213 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' CB ' HD13 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -103.56 168.56 9.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.552 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 p -54.81 -52.09 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.66 -34.38 88.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.003 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.9 mp -77.31 -43.91 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 111.179 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.51 ' HG ' HG11 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -57.57 -43.91 84.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.44 74.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.55 -45.85 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.28 -48.02 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 39' ' ' LEU . 6.7 tp -58.41 -40.8 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -74.07 -37.5 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -58.3 -48.18 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -73.56 -30.1 62.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.463 ' CD2' HD12 ' A' ' 42' ' ' LEU . 4.6 m-85 -113.2 42.95 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.808 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 p -60.06 -31.86 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.1 -33.41 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.17 -66.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -71.9 -41.68 67.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.87 64.67 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -175.39 37.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -165.29 -168.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 11.6 tttt -54.1 109.15 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 ttp-105 -67.16 -49.36 65.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -57.25 -47.78 80.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.873 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -58.92 -43.95 91.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.552 ' O ' HG23 ' A' ' 59' ' ' VAL . 67.8 t80 -57.35 -42.79 82.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -60.53 -44.51 96.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 54' ' ' ALA . 6.6 mt -60.53 -39.15 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 55' ' ' PHE . 21.8 t -64.55 -36.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -61.58 -47.71 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -75.02 -33.88 61.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 66' ' ' ILE . 10.4 t -72.13 -31.82 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.441 ' HD1' HD12 ' A' ' 35' ' ' LEU . 87.2 t80 -71.15 -40.05 71.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 0.0 110.653 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -74.8 -32.85 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.0 tt -76.08 -43.47 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 62' ' ' VAL . 35.5 pt -55.48 -34.79 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -49.23 32.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.99 -50.12 21.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.688 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HE2' HD13 ' A' ' 18' ' ' ILE . 1.6 mmmt -81.48 -48.65 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.737 0.303 . . . . 0.0 111.358 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 66.8 148.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.765 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.74 152.87 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.03 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.97 113.11 22.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.918 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.727 0.298 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.56 147.75 47.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.59 134.81 24.94 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.577 2.185 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' A' ' 5' ' ' PRO . 5.6 ttp180 -61.78 -61.03 8.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 37.4 Cg_endo -65.97 156.02 66.56 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.486 2.124 . . . . 0.0 112.224 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.9 -29.35 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.673 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.632 HG23 ' CD2' ' A' ' 8' ' ' PHE . 6.0 m -59.79 -25.67 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.325 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' CD2' HG23 ' A' ' 7' ' ' VAL . 10.9 p90 -140.73 -168.29 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 9' ' ' VAL . 11.0 p 46.28 28.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.805 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 173.52 -35.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.787 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -64.89 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -35.55 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -56.89 -41.46 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.536 ' O ' HG23 ' A' ' 18' ' ' ILE . 15.1 ttpt -74.51 -51.54 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.33 -47.26 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NE ' ' CE2' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -64.33 -41.64 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.711 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.747 HG12 HD11 ' A' ' 21' ' ' LEU . 6.9 t -65.97 -52.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.045 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.857 ' HA ' HD12 ' A' ' 21' ' ' LEU . 48.0 pt -55.0 -36.09 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 18' ' ' ILE . 10.2 mt-30 -72.27 -32.61 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -39.46 66.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.306 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.14 -47.99 39.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.811 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -58.43 -50.01 75.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -62.39 -37.63 86.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.41 151.54 22.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -39.19 78.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER 59.89 44.97 12.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.77 28.18 5.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.534 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.47 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.323 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -129.5 87.54 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 26' ' ' CYS . 8.5 t -62.95 155.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.729 ' HB2' HD12 ' A' ' 34' ' ' ILE . 2.0 t0 -104.6 171.79 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 60' ' ' GLU . 2.8 p -61.4 -61.38 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.51 81.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.729 HD12 ' HB2' ' A' ' 31' ' ' ASP . 35.0 mt -74.43 -47.2 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.68 -48.14 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.588 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -56.38 -52.08 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.341 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -58.25 -49.41 77.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.027 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 39' ' ' LEU . 5.6 tp -57.4 -50.71 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -69.44 -29.95 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -67.68 -47.94 68.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.064 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.496 HD12 ' CG ' ' A' ' 43' ' ' TYR . 2.7 pp -75.0 -30.14 61.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.496 ' CG ' HD12 ' A' ' 42' ' ' LEU . 4.8 m-85 -109.83 44.4 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.816 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -31.39 69.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.7 -43.03 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -53.94 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -85.35 -64.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.14 166.42 31.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -87.92 79.38 8.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -113.42 -66.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 9.1 mttp -105.79 88.7 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -67.04 -44.32 80.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -74.03 -48.12 32.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.888 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -60.28 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.271 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.5 t80 -59.16 -41.49 88.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -60.39 -45.27 94.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.0 mt -65.34 -39.1 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.33 -46.04 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 55' ' ' PHE . 22.0 t -66.88 -31.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HA ' HG22 ' A' ' 32' ' ' THR . 1.3 mt-10 -63.04 -50.64 69.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -33.26 61.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.786 ' O ' HG23 ' A' ' 66' ' ' ILE . 3.6 t -70.45 -31.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -71.17 -37.43 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.9 m -74.79 -33.99 62.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.254 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 62' ' ' VAL . 12.2 tt -76.17 -43.01 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.791 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.786 HG23 ' O ' ' A' ' 62' ' ' VAL . 36.8 pt -56.63 -36.76 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 0.0 111.433 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -70.73 -49.67 44.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.375 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -38.55 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.879 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -49.71 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.639 ' HE3' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -86.44 -53.07 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 0.0 111.136 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.87 155.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.54 160.05 20.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.67 -80.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.948 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.836 0.351 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 149.59 45.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.94 -167.88 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.558 2.172 . . . . 0.0 112.319 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.36 60.58 5.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.5 142.83 45.63 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.511 2.141 . . . . 0.0 112.279 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.52 131.01 2.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 11' ' ' ARG . 21.4 t -111.25 82.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.088 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -114.38 78.6 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 10' ' ' ASP . 10.7 p -178.59 -44.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.073 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.486 ' N ' HG13 ' A' ' 9' ' ' VAL . 22.4 m-20 -110.3 -28.53 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HB2' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.56 -31.86 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.02 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -59.74 -38.33 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.742 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.68 -38.33 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.2 ttpm? -74.69 -52.08 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 18' ' ' ILE . 5.5 tp60 -61.0 -46.27 91.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.1 tpm_? -64.76 -40.75 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.806 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.77 HG12 HD11 ' A' ' 21' ' ' LEU . 10.3 t -68.5 -52.25 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.812 ' HA ' HD12 ' A' ' 21' ' ' LEU . 40.5 pt -53.45 -37.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' N ' HG13 ' A' ' 18' ' ' ILE . 25.1 mm-40 -72.14 -34.91 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.7 m-85 -68.37 -40.8 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.284 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -73.1 -42.4 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.728 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -65.14 -49.48 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -59.95 -30.29 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.27 157.66 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -65.2 -32.79 74.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.5 t 60.03 39.28 20.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.63 43.62 0.62 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.474 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mttm 62.84 -80.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.668 0.27 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -134.63 109.89 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.755 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 35' ' ' LEU . 1.8 t -85.91 123.85 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HB2' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -87.05 176.93 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 p -58.92 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.16 94.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 31' ' ' ASP . 37.2 mt -68.34 -45.63 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 30' ' ' VAL . 29.4 tp -59.04 -40.67 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.711 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 m -59.2 -45.39 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.96 -47.81 70.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.86 -41.86 92.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -38.21 64.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.068 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -58.4 -45.68 87.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.082 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 43' ' ' TYR . 3.2 pp -78.09 -35.85 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.489 ' N ' HD12 ' A' ' 42' ' ' LEU . 3.6 m-85 -110.55 46.53 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.772 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.1 p -61.91 -50.04 73.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.8 m -68.01 -34.12 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.191 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.75 -71.82 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' CG ' ' CE1' ' A' ' 55' ' ' PHE . 8.1 m-85 -70.62 -52.87 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.65 149.16 37.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -173.84 -66.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -144.31 -72.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 12.5 pttp -60.15 88.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -67.16 -53.18 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -58.55 -38.72 78.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.282 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.667 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -53.23 -42.73 66.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.262 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' CE1' ' CG ' ' A' ' 47' ' ' TYR . 34.1 t80 -59.36 -41.57 89.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.816 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.47 -43.98 96.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.616 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 54' ' ' ALA . 11.6 mt -63.0 -40.99 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -60.64 -46.29 90.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 36' ' ' ALA . 9.5 p -75.12 -31.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.23 -50.31 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.621 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -75.02 -33.2 61.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.585 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.4 t -69.7 -31.55 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' A' ' 30' ' ' VAL . 65.9 t80 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 t -74.87 -37.08 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.5 tt -72.72 -44.44 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.839 -179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.3 pt -53.8 -35.14 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 111.051 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -75.41 -45.36 39.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.293 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 m -74.08 -50.17 20.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.878 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -64.14 -49.07 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.68 -179.031 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.657 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.3 mmmp? -79.13 -39.28 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.581 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 61.32 163.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.775 0.322 . . . . 0.0 110.709 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.7 91.94 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.72 160.86 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.899 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.899 0.381 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.41 143.17 27.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.7 -169.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.504 2.136 . . . . 0.0 112.37 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.32 108.12 0.78 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.88 127.36 16.84 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.374 2.049 . . . . 0.0 112.32 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.65 69.8 2.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.638 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.91 -73.29 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.35 163.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.977 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.07 -29.71 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.81 55.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.713 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -56.44 -30.86 63.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -55.73 -34.87 65.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.634 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -57.13 -42.55 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -74.3 -52.12 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -57.45 -48.29 79.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -64.29 -41.48 96.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.735 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.75 HG12 HD11 ' A' ' 21' ' ' LEU . 5.2 t -65.22 -52.37 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.749 ' HA ' HD12 ' A' ' 21' ' ' LEU . 49.6 pt -55.32 -36.01 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mt-30 -72.28 -31.65 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.413 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -75.12 -39.41 60.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.373 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.07 -51.05 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -47.36 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 t -60.11 -36.11 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.77 166.46 7.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -70.69 -43.74 68.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t 60.93 54.04 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.03 29.66 2.52 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.44 -67.98 0.19 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -148.91 115.18 5.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.681 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -90.96 154.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.779 ' HB2' HD12 ' A' ' 34' ' ' ILE . 1.1 m-20 -118.56 176.93 5.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.688 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.62 HG22 ' HB3' ' A' ' 63' ' ' PHE . 64.6 p -57.47 -60.44 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.88 96.48 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.66 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 31' ' ' ASP . 54.4 mt -64.5 -46.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.94 -40.5 80.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HA ' HG21 ' A' ' 59' ' ' VAL . . . -57.56 -47.14 82.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.0 -32.83 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -45.35 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 39' ' ' LEU . 7.7 tp -60.0 -39.95 87.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 11.4 pt20 -74.0 -37.67 64.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -48.04 83.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 3.1 pp -72.2 -34.14 68.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 2.3 m-85 -108.53 43.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.762 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -30.42 65.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.47 -31.03 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -93.99 -61.37 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -78.69 -51.81 9.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.3 -110.05 3.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.38 33.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.18 114.32 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.1 mmpt? 57.88 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -46.1 75.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.806 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -74.22 -48.1 31.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.618 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -53.54 -50.16 66.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.734 0.302 . . . . 0.0 111.377 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.714 ' O ' HG23 ' A' ' 59' ' ' VAL . 14.0 t80 -60.38 -35.77 76.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.822 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -67.18 -42.56 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 54' ' ' ALA . 12.3 mt -60.17 -45.35 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -46.21 91.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.676 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 55' ' ' PHE . 29.8 t -67.71 -36.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.72 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.32 -45.82 92.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -34.0 64.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 66' ' ' ILE . 10.3 t -72.3 -32.0 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HB3' HG22 ' A' ' 32' ' ' THR . 65.5 t80 -71.23 -39.51 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.0 110.677 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -74.85 -33.03 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.32 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -76.16 -42.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.709 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 62' ' ' VAL . 27.6 pt -58.53 -34.81 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -71.96 -50.54 28.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.431 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -42.79 59.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.612 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -49.09 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.765 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 18' ' ' ILE . 2.8 mmmt -82.95 -40.2 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.45 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 67' ' ' SER . 3.2 mm-40 67.19 72.25 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 mt -87.21 141.3 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.21 -43.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.87 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.73 147.93 37.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 137.94 31.78 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.517 2.144 . . . . 0.0 112.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.13 151.35 17.48 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -172.26 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.504 2.136 . . . . 0.0 112.255 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.22 -162.73 30.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.551 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.16 149.0 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.36 -62.29 1.52 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -179.97 -39.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.66 22.84 2.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.701 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.01 -30.93 27.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.215 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -54.97 -39.35 68.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.72 -40.18 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 18' ' ' ILE . 11.4 ttpt -75.09 -52.14 11.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.406 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 tp-100 -60.6 -44.27 96.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HD3' ' CE2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -64.88 -43.66 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.849 HG12 HD11 ' A' ' 21' ' ' LEU . 11.0 t -64.7 -52.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' A' ' 21' ' ' LEU . 43.6 pt -54.24 -37.27 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.339 . . . . 0.0 111.313 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 18' ' ' ILE . 5.3 mt-30 -72.12 -31.24 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.489 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.9 m-85 -75.1 -40.46 59.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.849 HD11 HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -73.08 -37.86 66.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 0.0 110.664 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.2 p -67.8 -49.92 59.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -67.15 -42.43 84.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -142.65 165.63 26.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -71.67 -28.56 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.9 t 62.18 48.51 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.7 -177.13 37.08 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 121.02 44.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 61.04 36.49 18.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.1 p -60.74 85.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.717 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -63.58 -174.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.543 HG21 ' OE1' ' A' ' 60' ' ' GLU . 68.2 p -59.24 -56.7 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.35 81.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.476 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.717 HD12 ' H ' ' A' ' 31' ' ' ASP . 32.4 mt -72.51 -42.03 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.1 tt -63.59 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -59.04 -45.62 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -42.9 95.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -71.99 -48.14 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -55.91 -38.53 70.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.9 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -48.13 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.674 HD12 ' CD2' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -72.98 -35.13 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.943 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.674 ' CD2' HD12 ' A' ' 42' ' ' LEU . 9.5 m-85 -120.37 54.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.938 0.399 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -36.63 82.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 p -76.09 -32.37 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.233 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.02 -36.77 19.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.318 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -111.76 -52.01 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.256 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -51.25 102.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.719 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -65.88 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -177.16 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.817 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -66.49 83.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -42.33 85.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' OD1' HD11 ' A' ' 57' ' ' ILE . 9.1 t-20 -70.9 -48.02 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.046 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.848 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -57.18 -48.74 77.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.6 ' O ' HG23 ' A' ' 59' ' ' VAL . 20.0 t80 -58.26 -38.69 77.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -64.57 -40.63 95.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.2 mt -65.71 -41.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -46.15 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 55' ' ' PHE . 29.1 t -67.11 -32.4 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.543 ' OE1' HG21 ' A' ' 32' ' ' THR . 3.6 mm-40 -64.82 -48.3 74.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.643 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -74.99 -32.04 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' ILE . 8.1 t -74.52 -31.81 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB3' HG22 ' A' ' 32' ' ' THR . 53.1 t80 -71.14 -40.02 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -74.85 -32.87 62.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.9 tt -76.1 -44.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.711 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' VAL . 32.9 pt -53.8 -34.91 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -46.8 32.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.321 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -74.25 -50.1 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.916 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.63 -49.14 72.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.519 ' HE2' HG21 ' A' ' 18' ' ' ILE . 8.4 mmmt -80.16 -39.66 28.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.653 0.263 . . . . 0.0 111.574 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 66.51 75.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.678 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.47 38.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.92 154.07 18.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.856 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -93.5 139.01 22.74 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.49 172.12 16.81 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 112.399 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.515 ' N ' ' HD2' ' A' ' 5' ' ' PRO . 45.7 ttp85 -67.13 -55.11 16.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 37.1 Cg_endo -65.5 131.52 28.22 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.226 1.95 . . . . 0.0 112.176 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -96.13 157.59 21.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.1 t -106.02 -21.79 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 111.235 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 63.07 -82.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t -155.17 -46.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 110.644 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.08 21.49 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.862 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -30.69 66.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -54.87 -37.02 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.86 -41.33 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.59 179.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 18' ' ' ILE . 14.6 ttpt -75.11 -52.06 11.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.744 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -43.35 88.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HG3' ' CE2' ' A' ' 20' ' ' TYR . 13.5 tpp180 -66.45 -43.37 85.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.748 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.798 HG12 HD11 ' A' ' 21' ' ' LEU . 12.8 t -65.27 -52.37 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.834 ' HA ' HD12 ' A' ' 21' ' ' LEU . 39.0 pt -54.76 -37.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.246 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.0 mt-30 -72.14 -31.03 65.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.488 ' OH ' HD13 ' A' ' 42' ' ' LEU . 3.7 m-85 -74.46 -39.53 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.472 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -47.39 44.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.789 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 m -59.59 -49.97 75.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.016 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.59 -40.85 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -156.49 160.32 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -47.83 82.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.91 48.54 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.68 -8.26 8.81 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.985 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm 69.97 -66.42 0.27 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.807 0.337 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.9 40.46 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 30' ' ' VAL . 12.0 p -56.74 118.99 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -89.18 -176.13 5.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.6 p -59.06 -57.57 12.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.47 -32.99 79.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.432 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.546 HD12 ' H ' ' A' ' 31' ' ' ASP . 39.1 mt -74.3 -45.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.6 tt -60.87 -38.58 86.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.14 92.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -64.03 -39.79 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' HD23 ' A' ' 42' ' ' LEU . 25.0 t70 -71.09 -48.08 54.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 7.7 tp -60.77 -40.95 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.14 -31.88 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -64.31 -48.05 77.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.618 HD12 ' CD2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -74.07 -32.99 63.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.618 ' CD2' HD12 ' A' ' 42' ' ' LEU . 7.6 m-85 -118.61 49.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -50.07 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 m -66.85 -31.02 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.21 -30.4 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' CD2' ' CE1' ' A' ' 55' ' ' PHE . 25.1 m-85 -113.84 -74.29 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.6 90.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.603 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -166.72 -43.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.08 -65.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -122.37 95.27 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -51.95 48.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -58.08 -42.55 85.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -55.01 -34.88 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.881 ' O ' HG23 ' A' ' 59' ' ' VAL . 31.4 t80 -63.69 -42.78 97.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -61.41 -46.06 91.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.617 HD12 ' HA ' ' A' ' 54' ' ' ALA . 4.9 mt -63.92 -43.75 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -60.18 -46.03 91.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.734 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 55' ' ' PHE . 23.8 t -65.14 -31.97 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.41 -48.95 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.775 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.804 ' O ' HG23 ' A' ' 66' ' ' ILE . 7.3 t -64.45 -31.63 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' HD2' HD12 ' A' ' 35' ' ' LEU . 45.8 t80 -69.53 -37.3 77.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -74.82 -35.34 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.0 tt -75.96 -44.23 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.931 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.804 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.4 pt -53.8 -34.69 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.275 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 p -75.09 -46.01 37.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.266 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -74.09 -50.29 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.651 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -61.53 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.387 -179.428 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HE2' HD13 ' A' ' 18' ' ' ILE . 5.5 mmmt -81.53 -55.2 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.182 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 62.65 146.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 mt -156.3 29.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -95.34 137.53 34.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.884 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -98.94 138.8 20.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -83.67 53.15 4.03 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.664 2.242 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -128.43 86.84 56.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.25 157.17 60.27 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.577 2.184 . . . . 0.0 112.226 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.58 113.1 1.91 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.97 -39.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 111.192 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.72 -76.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.025 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 m -98.37 26.33 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.294 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.36 -26.82 8.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -30.92 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.286 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 3.9 mptt -57.34 -41.89 80.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.031 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.783 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.54 -39.27 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' ILE . 11.4 ttpt -74.87 -51.7 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.737 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.89 -44.16 97.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HD3' ' CE2' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -64.97 -43.18 93.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.805 HG12 HD11 ' A' ' 21' ' ' LEU . 7.3 t -66.22 -52.41 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.867 ' HA ' HD12 ' A' ' 21' ' ' LEU . 41.7 pt -53.87 -37.21 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 111.157 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.418 ' N ' HG13 ' A' ' 18' ' ' ILE . 22.6 mt-30 -72.24 -32.29 66.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -38.27 67.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -73.11 -42.29 63.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -62.94 -49.96 72.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -60.56 -31.51 70.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -173.59 159.9 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -59.36 -33.75 71.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 t 58.62 30.73 20.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.86 144.61 5.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.417 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 96.56 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 60.97 54.26 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.31 132.1 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.032 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' H ' HD12 ' A' ' 34' ' ' ILE . 1.2 m-20 -96.7 178.34 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -59.09 -57.6 12.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.64 -32.19 68.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.22 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.407 HD12 ' H ' ' A' ' 31' ' ' ASP . 42.5 mt -75.8 -45.08 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.892 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.4 tt -61.86 -43.62 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.82 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -38.5 64.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.19 -38.79 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 39' ' ' LEU . 8.3 tp -65.75 -42.61 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 1.3 pp0? -74.09 -31.6 62.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.269 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -63.33 -48.0 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 2.1 pp -73.22 -34.2 65.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 3.5 m-85 -112.82 45.26 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.732 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -47.4 86.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.089 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.6 -30.9 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.281 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.83 -73.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -63.83 -59.57 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.22 85.52 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.6 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.24 -66.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.974 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -127.02 159.54 33.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 pttm 43.26 84.7 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.503 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.8 ttm-85 -66.94 -52.45 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -57.74 -39.67 77.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -55.16 -41.86 72.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.214 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 59' ' ' VAL . 50.1 t80 -59.93 -41.75 92.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -59.68 -46.03 90.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.67 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 54' ' ' ALA . 4.6 mt -66.26 -37.81 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.76 -45.05 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 55' ' ' PHE . 38.3 t -67.73 -34.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.54 -48.59 80.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -35.73 65.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 13' ' ' LEU . 19.3 t -69.83 -31.75 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -71.08 -41.24 70.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -32.61 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.291 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.606 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.1 tt -76.04 -43.29 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.752 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 62' ' ' VAL . 28.9 pt -55.89 -35.97 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 27.1 t -75.18 -43.89 49.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -73.96 -50.1 21.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.432 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.3 -49.09 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.582 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -51.82 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.725 0.298 . . . . 0.0 111.461 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 67' ' ' SER . 4.8 mt-10 66.27 123.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -65.53 -59.06 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.34 -70.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.9 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 144.26 28.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.48 93.44 0.92 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.561 2.174 . . . . 0.0 112.413 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -160.58 84.54 1.97 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.31 -60.47 0.74 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.639 2.226 . . . . 0.0 112.269 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.85 111.98 0.62 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.493 HG13 ' HD3' ' A' ' 11' ' ' ARG . 22.0 t -128.1 68.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.983 0.42 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -137.63 29.68 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.27 -67.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -143.02 17.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HD3' HG13 ' A' ' 7' ' ' VAL . 1.4 tpt85 -69.12 -31.49 70.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.795 0.331 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -58.43 -34.29 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.543 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.91 -40.1 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 66' ' ' ILE . 10.4 ttpt -73.44 -52.05 15.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.689 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 1.1 tp-100 -59.52 -43.52 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.43 -39.83 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 21' ' ' LEU . 13.9 t -68.45 -52.3 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 21' ' ' LEU . 36.4 pt -53.56 -40.1 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 18' ' ' ILE . 2.1 mm-40 -72.34 -31.02 65.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.4 -39.75 70.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.416 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -47.25 46.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.799 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -59.7 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -60.82 -31.28 70.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.14 154.85 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -61.58 -33.39 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.7 t 60.59 31.34 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.63 -142.32 12.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -134.77 -56.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.23 39.98 3.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.6 p -55.33 92.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.616 ' H ' HD12 ' A' ' 34' ' ' ILE . 14.7 m-20 -78.14 -172.37 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.778 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 p -55.86 -53.05 61.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.74 -34.09 87.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.616 HD12 ' H ' ' A' ' 31' ' ' ASP . 33.2 mt -74.26 -40.12 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.526 HD23 ' CG1' ' A' ' 59' ' ' VAL . 51.7 tp -63.29 -43.11 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -62.18 -50.39 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -67.0 -48.08 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HA ' HD21 ' A' ' 42' ' ' LEU . 7.9 tp -60.63 -38.08 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.97 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -48.18 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.9 pp -70.87 -32.21 69.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.502 ' CD2' HD12 ' A' ' 42' ' ' LEU . 4.1 m-85 -113.47 41.79 2.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.828 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 t -60.54 -35.96 77.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.13 -30.81 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -89.76 -69.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CG ' ' CE1' ' A' ' 55' ' ' PHE . 9.2 m-85 -78.86 -42.92 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.245 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -49.78 96.35 0.01 OUTLIER Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.749 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.1 -173.08 2.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -32.51 72.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -80.73 67.2 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -39.97 85.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.12 -35.7 81.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' HA ' HD12 ' A' ' 57' ' ' ILE . . . -60.54 -48.14 83.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.2 t80 -59.77 -36.17 76.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -63.67 -42.86 97.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 54' ' ' ALA . 7.4 mt -66.41 -40.91 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -62.67 -44.83 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.786 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 55' ' ' PHE . 25.9 t -68.74 -36.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.81 -54.06 47.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.34 -31.71 72.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.8 ' O ' HG23 ' A' ' 66' ' ' ILE . 4.4 t -76.52 -31.64 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.992 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.52 -38.11 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.8 t -74.84 -35.1 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.2 tt -74.8 -43.32 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.773 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.8 HG23 ' O ' ' A' ' 62' ' ' VAL . 31.6 pt -57.06 -34.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.413 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -49.33 29.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.751 0.31 . . . . 0.0 111.235 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -74.29 -35.99 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -49.38 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 3.5 mptt -86.21 -26.68 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.596 0.236 . . . . 0.0 111.399 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 63.19 79.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 70' ' ' LYS . 1.5 mm? -120.9 29.74 7.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.74 38.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.916 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.781 0.324 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -84.52 146.48 47.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.69 142.97 36.79 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.555 2.17 . . . . 0.0 112.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -86.56 112.66 48.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.43 112.27 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.453 2.102 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.94 -130.58 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 m -71.7 150.14 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -162.12 -68.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.8 m -110.07 -24.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.83 21.46 7.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.211 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 ttt-85 -69.05 -30.75 69.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.8 -36.26 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.28 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.722 HD12 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.62 -43.11 79.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.399 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CG ' HG22 ' A' ' 66' ' ' ILE . 1.9 ttpm? -72.3 -49.08 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -61.55 -48.18 82.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.493 -179.74 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.9 tpp180 -63.2 -40.29 97.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.922 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.846 HG12 HD11 ' A' ' 21' ' ' LEU . 13.5 t -66.18 -52.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.059 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.761 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.0 pt -54.0 -37.7 35.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.4 mt-30 -72.28 -31.3 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.681 ' OH ' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -73.79 -39.96 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.33 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.846 HD11 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.07 -50.03 25.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.2 m -56.87 -49.14 76.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -61.09 -30.16 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.95 161.79 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -64.15 -33.21 75.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.35 31.8 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.84 147.91 5.75 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.554 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 112.16 10.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 59.46 45.84 13.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 30' ' ' VAL . 10.5 p -58.41 115.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -96.51 -173.07 2.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 p -62.03 -55.8 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.25 -35.7 79.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.406 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.495 HD12 ' H ' ' A' ' 34' ' ' ILE . 4.7 mp -78.06 -38.06 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' HB2' HG22 ' A' ' 30' ' ' VAL . 47.1 tp -70.7 -47.2 61.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.625 ' CB ' HG21 ' A' ' 59' ' ' VAL . . . -58.46 -47.38 84.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -41.93 98.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' OD1' HD23 ' A' ' 42' ' ' LEU . 52.7 t0 -70.55 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 39' ' ' LEU . 6.1 tp -59.54 -44.23 93.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' NE2' ' CD1' ' A' ' 55' ' ' PHE . 3.9 mt-30 -74.01 -34.85 64.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -63.18 -44.12 96.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.681 HD13 ' OH ' ' A' ' 20' ' ' TYR . 3.9 pp -77.18 -35.05 56.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.556 ' N ' HD12 ' A' ' 42' ' ' LEU . 2.1 m-85 -107.21 44.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.1 p -61.14 -32.66 72.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.49 -36.67 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.11 -55.86 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -91.19 -61.96 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.05 -118.28 14.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -96.85 40.38 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 87.16 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.952 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.9 mttp 58.41 106.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -67.07 -58.52 4.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -74.12 -47.99 32.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.41 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.952 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -53.7 -49.12 68.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.369 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.674 ' O ' HG23 ' A' ' 59' ' ' VAL . 45.9 t80 -58.29 -46.16 86.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -57.71 -51.34 69.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.733 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.3 -33.05 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.726 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -46.14 76.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 55' ' ' PHE . 22.3 t -63.06 -38.75 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.769 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.17 -46.79 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -75.15 -36.89 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.699 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.7 t -66.44 -31.91 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 66' ' ' ILE . 16.8 t80 -71.25 -41.82 69.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.706 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -74.92 -32.24 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' A' ' 62' ' ' VAL . 14.9 tt -76.16 -42.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 62' ' ' VAL . 18.7 pt -55.26 -34.75 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 111.437 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.46 -50.89 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.319 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.7 t -73.6 -50.06 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.422 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.16 -49.12 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.605 ' HE3' HG21 ' A' ' 18' ' ' ILE . 1.2 mmmp? -83.51 -55.08 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.034 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 60.26 112.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 73' ' ' LYS . 3.8 pp -78.38 -43.44 27.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.577 ' N ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -178.1 38.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.893 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.769 0.319 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -90.19 150.13 42.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.45 109.95 2.57 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.628 2.219 . . . . 0.0 112.311 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 60.23 64.97 2.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.49 -164.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.611 2.207 . . . . 0.0 112.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.54 -55.69 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.428 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 7' ' ' VAL . 13.7 p -166.01 40.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -110.06 -31.06 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG23 ' OD1' ' A' ' 10' ' ' ASP . 9.0 m -94.33 -22.06 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.419 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' OD1' HG23 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -89.74 12.06 18.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.457 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -69.16 -30.93 69.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -54.94 -42.11 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -56.9 -42.01 79.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 18' ' ' ILE . 3.8 ttpt -75.09 -52.14 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.031 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.06 98.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -42.0 88.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.758 HG12 HD11 ' A' ' 21' ' ' LEU . 12.2 t -67.15 -52.23 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 21' ' ' LEU . 39.3 pt -54.17 -38.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 111.196 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 18' ' ' ILE . 7.6 mt-30 -72.26 -31.28 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.754 ' OH ' HD13 ' A' ' 42' ' ' LEU . 1.1 m-85 -72.27 -40.4 67.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.382 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.07 -42.18 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 110.745 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.9 m -65.28 -50.01 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -62.36 -41.08 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -152.6 164.15 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -67.14 -45.64 76.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 58.76 85.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.39 109.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -58.95 127.1 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.755 0.312 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 61.62 41.95 11.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 30' ' ' VAL . 10.7 p -66.27 110.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.031 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.664 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -85.35 -175.66 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.4 p -58.6 -57.17 14.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.05 -32.53 80.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.664 HD12 ' H ' ' A' ' 31' ' ' ASP . 48.4 mt -76.1 -40.79 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.3 tt -65.2 -44.92 86.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.03 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 3.2 m -71.09 -34.48 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.761 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -43.33 35.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 39' ' ' LEU . 6.3 tp -61.0 -40.29 92.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.12 -38.87 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 37' ' ' SER . 1.4 ttt180 -58.18 -48.11 81.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.754 HD13 ' OH ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -71.36 -34.25 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' CD2' HD12 ' A' ' 42' ' ' LEU . 8.0 m-85 -118.3 54.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.751 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.0 p -65.47 -46.21 80.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.23 -31.39 50.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -95.21 -72.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.412 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -69.33 -51.58 35.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.369 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.93 63.69 0.7 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.822 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -54.55 2.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -151.87 175.0 12.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.931 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 5.8 mmmt 60.89 74.33 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.002 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -50.75 61.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -73.94 -45.77 48.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.931 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -54.25 -41.99 69.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.53 ' O ' HG23 ' A' ' 59' ' ' VAL . 54.4 t80 -59.75 -41.78 91.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.727 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -41.29 96.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.77 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 54' ' ' ALA . 9.9 mt -63.22 -39.52 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.42 -46.09 87.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 55' ' ' PHE . 21.8 t -67.25 -33.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -63.51 -47.73 80.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -75.04 -35.01 61.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.784 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.5 t -69.93 -31.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -69.81 -40.26 76.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -74.89 -34.22 62.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.589 HG22 ' HA ' ' A' ' 62' ' ' VAL . 15.3 tt -74.77 -44.77 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.891 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 62' ' ' VAL . 30.3 pt -53.85 -34.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.133 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -45.83 39.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.2 -50.23 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.603 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 3.5 mm-40 -61.67 -49.16 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.299 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -80.02 -54.99 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 56.91 29.66 16.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.9 177.03 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -156.82 112.47 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.922 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -90.12 159.11 43.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.89 -177.51 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.594 2.196 . . . . 0.0 112.281 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.47 142.19 24.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.82 -168.39 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.562 2.175 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.3 -112.77 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.848 HG11 ' CD ' ' A' ' 12' ' ' LYS . 5.9 m -100.25 -179.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 111.068 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -177.02 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 9' ' ' VAL . 14.6 t -93.15 30.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.431 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.2 37.64 29.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -62.99 -30.92 71.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.848 ' CD ' HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -56.12 -37.57 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.0 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' HB3' HG21 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -56.88 -42.89 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.582 ' HG2' HG22 ' A' ' 66' ' ' ILE . 3.7 ttpt -74.51 -52.12 12.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.988 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -59.87 -45.36 92.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.209 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -40.72 92.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.763 HG12 HD11 ' A' ' 21' ' ' LEU . 7.0 t -67.1 -52.39 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.721 ' HA ' HD12 ' A' ' 21' ' ' LEU . 40.2 pt -54.65 -38.18 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.802 0.334 . . . . 0.0 111.121 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 18' ' ' ILE . 1.9 mt-30 -72.26 -30.98 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -40.85 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.302 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.763 HD11 HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -70.06 -34.38 73.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.754 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -50.04 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -34.51 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -168.68 161.51 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -37.11 77.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 t 55.0 72.69 0.46 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.01 120.77 1.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.419 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -65.37 128.19 34.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 60.82 34.56 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.5 p -58.73 92.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.661 ' H ' HD12 ' A' ' 34' ' ' ILE . 29.6 m-20 -77.22 -175.96 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 63' ' ' PHE . 23.1 p -54.55 -55.22 31.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.81 90.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.661 HD12 ' H ' ' A' ' 31' ' ' ASP . 37.0 mt -72.42 -39.01 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -66.78 -48.99 67.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -55.36 -49.41 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.264 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.4 m -57.96 -49.69 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.79 -41.78 97.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.31 -44.11 97.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 3.4 pt20 -74.2 -29.92 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.07 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -65.64 -48.1 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.942 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.468 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 3.1 pp -73.22 -27.51 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.468 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 4.3 m-85 -112.29 33.07 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.741 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -55.31 -31.26 61.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.2 t -75.99 -31.01 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -91.21 -66.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -77.13 -43.72 33.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.91 89.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.604 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.14 -61.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -151.76 168.02 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.854 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.3 mttt 60.42 69.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -67.04 -42.37 84.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -73.85 -37.96 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.854 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -57.57 -45.78 84.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.026 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.6 t80 -60.58 -37.93 82.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -61.57 -42.34 98.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.78 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 54' ' ' ALA . 6.4 mt -65.11 -43.3 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -60.02 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 55' ' ' PHE . 38.3 t -67.62 -36.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.32 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.659 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.04 -30.95 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.765 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 66' ' ' ILE . 12.6 t -71.23 -31.54 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HB3' HG22 ' A' ' 32' ' ' THR . 74.6 t80 -69.71 -41.39 75.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.796 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 t -74.8 -33.14 62.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.611 HG22 ' HA ' ' A' ' 62' ' ' VAL . 13.1 tt -75.98 -44.07 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.794 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 62' ' ' VAL . 24.3 pt -53.74 -34.67 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -74.14 -47.1 38.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -50.33 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.83 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.606 ' OE2' HD11 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -60.36 -49.17 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.684 0.278 . . . . 0.0 111.41 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.696 ' HE2' HG21 ' A' ' 18' ' ' ILE . 6.6 mmmt -78.62 -49.89 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.905 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.88 159.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.38 -49.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -143.85 167.43 22.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 stop_ save_