data_2lvj_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 2lvj _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 ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.4 mmm -57.76 -23.3 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.67 -45.09 88.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -57.17 -60.04 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.76 -46.57 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -53.13 -39.91 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -80.25 -19.94 45.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -53.68 -50.08 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -80.51 -26.48 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.437 HG13 HG12 ' A' ' 54' ' ' ILE . 21.2 pt -131.13 137.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.5 t -56.08 121.92 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -85.46 -14.42 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -81.12 -45.77 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.38 -24.98 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -60.96 -61.79 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.44 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 t -54.19 -35.43 62.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.94 -19.91 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.48 -34.34 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.8 mt -51.84 -24.84 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.27 -33.44 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -80.67 -26.26 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.4 -6.45 48.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.31 10.19 64.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.43 131.78 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -101.12 22.25 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -130.31 19.12 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.78 -25.13 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.38 -33.33 28.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -80.55 -32.23 36.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.19 -32.64 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -60.04 -39.05 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -84.0 -20.08 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.423 ' HG3' HD21 ' A' ' 69' ' ' LEU . 5.6 mmt -80.53 -46.58 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -24.78 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.33 64.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.85 -46.13 59.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.43 HG21 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -69.28 -30.36 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 39.7 t0 -76.47 110.19 10.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.01 -16.62 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.48 0.98 37.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 34.29 11.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.77 169.06 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.47 48.53 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.458 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -165.77 150.03 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.437 HG12 HG13 ' A' ' 19' ' ' ILE . 30.8 pt -142.51 141.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.81 -168.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.14 -41.01 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -39.11 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' OE1' HG21 ' A' ' 54' ' ' ILE . 33.0 mt-10 -69.3 -56.96 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -55.76 -37.98 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 mm -66.46 -46.23 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' HG21 ' A' ' 46' ' ' ILE . 4.8 m -49.3 -27.52 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.41 -41.6 80.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.2 t -77.8 -44.69 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -22.28 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.35 -18.2 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 48.93 55.06 17.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.609 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.0 Cg_endo -69.82 -29.3 23.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.1 5.81 23.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.609 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 1.8 mm? -101.36 -58.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.37 -19.17 63.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -48.21 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -84.26 -26.77 28.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.78 -57.12 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.8 -21.47 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -28.69 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 m -108.42 21.93 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.329 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.32 -30.38 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -60.37 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -52.76 -46.39 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -52.84 -38.6 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -81.34 -19.85 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -54.66 -49.77 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -84.48 -17.99 37.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.746 0.308 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.43 HG13 HG12 ' A' ' 54' ' ' ILE . 21.0 pt -133.9 138.46 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.98 121.71 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.66 -16.39 39.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -81.55 -45.0 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.76 -26.87 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -61.68 -61.74 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 t -53.25 -36.48 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.76 -20.84 48.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.08 -28.88 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' HD23 ' A' ' 24' ' ' LEU . 10.1 mt -51.75 -24.92 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -62.16 -34.9 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 t -77.15 -25.67 52.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.93 -2.7 41.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.71 10.1 67.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.41 127.57 32.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -97.06 18.01 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 m -119.16 30.62 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -65.4 -27.11 68.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.13 -31.69 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -83.88 -28.15 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.429 HG13 ' HA ' ' A' ' 36' ' ' ALA . 9.5 p -75.69 -35.15 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -55.89 -41.05 73.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.421 ' HG3' HD21 ' A' ' 69' ' ' LEU . 11.6 mmt -79.64 -51.06 9.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -24.19 28.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.94 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.78 -46.94 50.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -67.02 -29.97 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -74.51 110.64 8.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -94.65 -15.38 24.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 1.12 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.7 34.71 10.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -105.0 169.73 8.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.19 46.12 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -165.65 149.42 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.43 HG12 HG13 ' A' ' 19' ' ' ILE . 33.7 pt -138.84 141.36 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.9 175.18 6.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.58 -41.84 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -39.69 94.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.62 -55.0 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.3 -37.24 69.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.94 -47.52 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.3 t -47.69 -28.04 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.36 -45.43 76.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.3 t -75.1 -44.74 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -24.15 52.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.12 -19.16 40.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.9 m-80 47.71 55.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.73 -27.39 26.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.396 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 8.7 22.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 1.9 mm? -101.49 -59.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.02 -24.35 53.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -50.03 -46.12 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -84.63 -28.27 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.3 t -67.19 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.7 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -31.31 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.63 -16.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.0 mmm -52.77 -28.83 24.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.63 -34.66 77.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -66.09 -54.52 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -59.87 -44.08 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -53.01 -38.23 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -82.0 -19.57 40.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -54.43 -44.33 72.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.4 m-30 -86.16 -35.02 20.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 pt -140.38 144.26 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.71 125.89 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -89.51 -16.13 31.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -81.58 -43.98 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.41 -25.56 63.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.06 -62.09 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.87 -35.02 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.0 -19.29 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.85 -33.75 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.3 mt -50.82 -40.01 54.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -55.75 -32.58 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.29 -24.3 63.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -86.14 -3.58 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.27 -7.76 58.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.34 129.97 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.944 0.402 . . . . 0.0 110.828 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 t -102.03 27.64 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -136.74 18.44 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.56 -25.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.99 -30.53 28.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -83.23 -28.92 28.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.01 -33.67 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.74 -41.05 81.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -79.03 -20.88 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.417 ' HG3' HD21 ' A' ' 69' ' ' LEU . 11.2 mmt -79.95 -50.41 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -24.46 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.6 -46.64 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.12 -31.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -74.11 111.71 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -95.13 -17.08 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.91 1.73 34.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.08 32.36 9.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -102.7 170.1 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -84.42 42.17 3.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 55.3 m-85 -161.2 145.25 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 21' ' ' LEU . 25.6 pt -137.04 141.55 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.34 176.51 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -50.86 -44.59 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -39.49 94.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -68.31 -56.34 8.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -57.57 -37.98 74.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.68 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -47.72 -27.85 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.97 -45.71 80.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.01 -44.56 47.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -23.52 49.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.11 -19.11 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.45 54.74 16.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.443 ' HB2' HD22 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.74 -27.94 25.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.5 9.97 22.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 2.0 mm? -101.34 -60.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.99 -20.88 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -50.57 -47.49 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -84.77 -28.16 26.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.3 t -66.62 -60.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.12 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -29.73 70.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.77 -15.28 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.71 -27.28 27.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.24 -49.05 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -51.65 -59.02 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -54.95 -46.83 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -52.36 -38.51 58.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -83.3 -19.74 35.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -53.74 -48.0 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -83.09 -36.05 25.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.738 0.304 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.7 pt -135.47 138.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -56.5 123.32 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -87.47 -16.32 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -81.57 -44.09 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.37 -26.22 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.32 -61.77 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 t -53.33 -35.47 60.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -80.1 -20.19 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.24 -32.28 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.4 mt -51.45 -25.0 5.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -59.23 -33.51 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -78.14 -26.29 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.36 -4.91 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.1 8.99 66.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 130.72 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -101.13 22.84 11.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.4 m -130.4 19.88 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.15 -26.2 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.45 -30.78 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -82.77 -30.47 28.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -72.58 -33.94 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.8 -41.57 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -79.95 -20.8 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.448 ' HG3' HD21 ' A' ' 69' ' ' LEU . 13.2 mmt -78.21 -50.72 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -24.18 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.68 -21.2 64.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.69 -46.49 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.42 HG21 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -68.25 -30.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 40.2 t0 -75.79 110.94 10.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -95.28 -16.83 22.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.87 1.69 37.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 32.25 9.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.547 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -103.46 169.03 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.51 47.81 3.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -166.1 146.41 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 21' ' ' LEU . 20.5 pt -138.34 137.26 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.29 -169.81 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.95 -40.8 97.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -37.35 85.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.1 -55.86 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -56.62 -37.09 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mm -67.04 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.42 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.7 m -48.29 -27.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -67.67 -44.04 78.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.0 t -76.09 -44.46 38.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.72 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.06 -18.51 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.7 m-80 47.91 55.08 16.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.78 -27.71 26.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.52 8.49 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.1 mm? -101.78 -58.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -61.47 -18.99 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -50.5 -48.84 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.03 -33.78 24.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.54 -53.99 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -29.85 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 m -104.66 21.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.807 0.336 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.7 mmm -56.0 -25.55 44.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.28 -42.55 93.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -59.54 -60.84 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -52.47 -48.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -52.01 -41.92 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -80.37 -19.86 45.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -53.6 -54.71 33.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -75.58 -23.16 56.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.311 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 pt -130.23 136.62 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -53.29 119.03 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.92 -15.83 37.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -81.52 -42.14 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.92 -25.18 61.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.26 -61.77 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.452 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.6 t -53.95 -34.35 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.8 -19.89 43.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.12 -34.19 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.0 mt -51.19 -52.15 47.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -48.89 -37.69 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.54 -39.68 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.86 -5.15 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.45 -8.38 34.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 137.92 42.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.837 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -110.51 26.8 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.8 p -137.04 18.9 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.46 -24.54 31.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -82.26 -31.78 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.64 -31.57 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.72 -33.11 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -59.91 -40.15 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -81.09 -20.51 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.448 ' HG3' HD21 ' A' ' 69' ' ' LEU . 10.4 mmt -80.03 -48.49 13.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -22.61 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.86 66.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.03 -45.18 35.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.401 HG23 ' HB2' ' A' ' 62' ' ' PHE . 38.5 pt -70.95 -32.95 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 40.6 t0 -79.9 109.44 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -97.0 -16.68 20.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.33 3.0 45.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.04 33.0 6.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.86 167.73 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -86.16 52.41 4.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -166.25 150.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.41 HG21 ' OE1' ' A' ' 58' ' ' GLU . 38.8 pt -145.76 140.76 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.01 -169.65 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.1 -41.3 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -40.08 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 47' ' ' ASP . 22.6 mt-10 -67.45 -56.35 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.14 -39.78 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mm -65.25 -46.6 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 t -48.92 -26.8 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.401 ' HB2' HG23 ' A' ' 46' ' ' ILE . 1.3 t80 -69.57 -43.83 72.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.75 -43.69 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -24.19 53.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.78 45.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 32.1 m-80 48.83 54.83 16.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.464 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -26.26 27.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.87 10.94 27.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.8 mm? -101.66 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -58.8 -23.6 60.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -48.7 -45.33 39.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.01 -27.98 26.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.0 -62.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.09 -25.11 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -30.92 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.4 m -106.64 23.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.9 mmm -57.13 -23.98 50.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.94 -48.98 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -51.11 -59.41 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -53.99 -47.85 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.66 -38.98 64.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -79.85 -19.75 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -50.94 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -83.12 -1.99 54.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 pt -134.66 138.31 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -55.55 122.47 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -85.91 -16.39 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 m -81.35 -45.51 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.31 -26.52 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.63 -61.63 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.6 t -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -79.46 -20.29 47.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.35 -31.72 20.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.6 mt -51.65 -25.05 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -59.39 -33.51 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -75.6 -26.88 58.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.88 -3.67 42.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.09 9.8 69.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 131.32 44.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.947 0.403 . . . . 0.0 110.86 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 23.63 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.6 m -132.33 18.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.97 -25.15 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.62 -32.79 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -81.13 -31.2 34.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.49 -33.97 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.59 -40.18 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -82.32 -20.53 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.453 ' HG3' HD21 ' A' ' 69' ' ' LEU . 10.7 mmt -78.42 -48.99 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -24.09 31.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -21.42 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.44 -46.53 54.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.425 HG21 ' CB ' ' A' ' 61' ' ' SER . 33.9 pt -68.56 -30.63 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 41.4 t0 -76.25 110.4 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.3 t -95.36 -17.12 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.66 1.87 41.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.93 32.7 9.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.32 169.05 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.344 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.91 48.83 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -166.17 146.13 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 21' ' ' LEU . 16.0 pt -138.92 136.21 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -169.56 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.77 -41.54 97.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -37.15 85.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.33 -56.67 6.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.45 -37.12 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.03 -47.49 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.425 ' CB ' HG21 ' A' ' 46' ' ' ILE . 4.0 m -48.77 -27.71 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.78 -42.61 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.73 -44.44 33.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -23.02 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.38 -18.63 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.5 m-80 48.2 55.0 16.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.77 -29.09 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.09 9.14 20.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.531 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -101.85 -58.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mmt -64.12 -19.76 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mmpm? -50.74 -47.65 59.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -84.32 -33.85 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.8 -54.4 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.51 63.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -31.91 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.9 m -95.48 13.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.4 mmm -54.71 -26.17 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.8 -45.98 90.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -56.3 -60.88 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -51.47 -47.47 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -52.79 -41.55 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -79.69 -20.09 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -53.99 -53.07 58.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -78.74 -5.34 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.0 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.747 0.308 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -131.09 138.09 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -60.01 124.38 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -86.91 -14.64 41.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -81.35 -46.42 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -67.34 -26.97 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.3 -62.24 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.3 t -53.51 -36.81 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.9 -20.01 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.25 -33.06 19.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' HG ' HD23 ' A' ' 24' ' ' LEU . 10.0 mt -52.26 -24.88 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -32.33 72.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t -79.1 -25.57 43.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.38 -4.37 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 4.99 65.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 129.74 40.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -101.23 25.61 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -132.56 19.93 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.24 -25.8 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.53 -31.11 29.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.63 -30.08 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.99 -33.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.1 -43.28 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.86 -20.73 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.417 ' HG3' HD21 ' A' ' 69' ' ' LEU . 20.6 mmt -79.73 -51.43 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -24.18 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.49 -20.67 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.65 -45.4 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 ' CB ' ' A' ' 61' ' ' SER . 24.9 pt -68.13 -34.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.439 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 34.8 t0 -67.49 102.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -87.49 -16.44 34.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.54 0.82 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.91 34.6 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -103.01 170.34 8.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 40.93 2.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -163.7 150.67 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.423 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 12.9 pt -141.53 136.15 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -174.31 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.24 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -40.35 94.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 42.1 mt-10 -70.34 -53.42 16.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.32 -35.44 75.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.74 -46.46 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.415 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.5 m -47.03 -28.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -45.69 88.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.94 -44.84 46.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -24.31 53.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.86 -19.39 41.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 29.8 m-80 47.97 55.43 16.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.442 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.81 -25.34 28.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.0 10.0 27.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.03 -59.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -60.84 -22.23 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -50.5 -45.81 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.02 -25.81 27.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.79 -63.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.89 -27.21 12.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -31.71 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 m -108.52 24.05 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.8 -23.87 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.7 -42.22 86.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -58.75 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.89 -48.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.23 -38.79 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -82.77 -19.82 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -54.38 -52.12 62.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -80.26 -3.2 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.7 0.286 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 pt -133.73 137.67 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -57.63 122.44 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -86.28 -16.82 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 p -81.76 -43.85 17.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.94 -26.19 64.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD21 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.9 -62.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.442 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.38 -35.84 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.26 -20.36 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.35 -32.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.3 mt -51.74 -24.7 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.01 -33.61 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 t -79.2 -25.98 42.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.76 -5.14 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.13 10.91 61.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.45 130.42 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 110.848 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -101.17 23.39 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -131.05 19.99 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.38 -25.99 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.03 -30.13 28.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -83.87 -28.1 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -75.01 -34.04 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.17 -40.6 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.86 -20.75 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.421 ' HG3' HD21 ' A' ' 69' ' ' LEU . 22.4 mmt -79.76 -51.05 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -24.68 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.28 -20.88 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -72.41 -47.25 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.424 HG21 ' CB ' ' A' ' 61' ' ' SER . 35.7 pt -67.05 -30.93 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 40.2 t0 -74.55 111.14 9.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -95.22 -16.76 22.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.29 1.63 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.26 32.81 10.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -104.06 169.55 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.46 47.66 3.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -165.89 147.04 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.422 HG23 ' HB3' ' A' ' 21' ' ' LEU . 31.7 pt -138.45 141.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.97 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -48.6 -42.13 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -39.46 93.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -69.59 -56.29 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -55.61 -39.05 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.5 -47.38 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.5 m -48.05 -27.33 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -45.69 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.9 t -74.37 -44.36 52.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -57.2 -26.62 60.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.65 56.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.455 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 49.59 53.58 14.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -32.06 19.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.345 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.57 11.56 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -101.89 -59.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -61.1 -19.28 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.84 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.75 -28.63 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.01 -59.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.2 -21.45 33.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.74 24.53 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.819 0.342 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 9.5 mmt -46.23 -44.78 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -45.83 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -55.11 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.75 -49.2 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -52.53 -40.82 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -79.48 -20.01 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -59.39 4.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -73.06 -23.05 60.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.79 0.329 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.3 pt -133.76 138.33 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.9 122.76 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -86.18 -16.23 38.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.15 -25.64 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD21 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.31 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.431 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -53.95 -34.62 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.24 -20.22 45.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.45 -33.83 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.6 mt -51.31 -25.44 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -57.55 -33.86 68.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -81.2 -26.31 36.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.27 -7.81 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.38 0.77 62.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.66 131.26 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -101.62 20.76 15.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.3 m -128.66 19.75 6.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.95 -25.97 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.62 -31.21 28.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.64 -30.05 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.1 -33.37 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -57.82 -38.75 76.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.46 -20.48 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.435 ' HG3' HD21 ' A' ' 69' ' ' LEU . 7.4 mmt -79.63 -48.14 14.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -25.04 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.93 -47.97 48.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.427 HG21 ' CB ' ' A' ' 61' ' ' SER . 33.7 pt -67.02 -31.13 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 42.1 t0 -77.22 110.73 12.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.89 -16.85 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.24 1.25 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.17 33.8 11.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 169.06 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.09 48.71 4.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -165.82 148.0 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.0 pt -139.02 136.3 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.77 175.06 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.79 -42.59 47.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -40.28 91.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.99 -57.14 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.61 -39.49 73.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.35 -46.49 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.427 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.4 m -48.15 -28.29 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -65.48 -44.21 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.8 t -75.38 -44.26 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -23.72 48.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.24 -18.75 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 15.2 m-80 47.76 55.01 16.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.655 0.741 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.479 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.74 -28.33 25.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.248 . . . . 0.0 112.307 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.76 8.91 21.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 1.8 mm? -102.13 -60.48 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -53.06 -29.63 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -46.57 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -85.52 -27.63 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.65 -60.51 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.95 -20.76 40.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -32.37 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.6 t -78.29 -16.92 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.9 mmm -52.06 -29.2 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.49 -41.09 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -58.0 -38.47 76.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -78.97 -44.45 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -76.0 -20.98 57.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -75.45 -8.68 57.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.723 0.297 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.05 138.85 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -59.92 122.51 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -84.89 -16.49 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -81.9 -46.41 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.68 -25.16 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.94 -61.74 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.452 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.7 t -53.68 -35.53 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.18 -20.6 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.25 -32.93 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.6 mt -51.47 -24.9 5.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -58.9 -33.01 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -77.45 -26.78 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.77 -5.03 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.28 10.11 68.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 133.15 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.967 0.413 . . . . 0.0 110.844 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.14 22.68 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 m -133.67 18.64 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.38 -25.82 17.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.67 -30.75 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -82.94 -30.02 28.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -72.99 -33.1 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.99 -38.82 76.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -83.33 -20.49 34.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.431 ' HG3' HD21 ' A' ' 69' ' ' LEU . 7.2 mmt -79.78 -47.99 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -25.41 32.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.46 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -72.04 -46.53 56.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 pt -67.43 -33.32 61.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.439 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 34.9 t0 -70.22 106.93 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 t -90.73 -17.57 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.22 1.33 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.97 34.3 11.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -102.0 170.22 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.3 40.51 2.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.52 150.5 12.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.439 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 14.2 pt -141.18 136.28 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.93 174.92 8.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -40.96 63.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -40.86 96.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 38.4 mt-10 -70.78 -53.26 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.46 -37.45 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.27 -45.57 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -48.22 -26.94 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.51 -45.16 80.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.35 -44.61 44.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.19 -23.87 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.26 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.429 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 8.2 m-80 48.16 55.52 17.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.46 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 -24.6 29.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.92 10.57 28.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.73 -59.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.909 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -60.85 -26.09 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -49.34 -43.17 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.37 -25.06 27.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.42 -26.53 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -32.31 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -105.58 23.99 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.8 mmm -51.23 -30.04 16.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.56 -43.3 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -56.99 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -52.82 -47.79 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -52.61 -37.92 59.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -83.14 -19.69 36.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -54.37 -50.05 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -82.16 -17.75 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mttt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.7 pt -135.19 137.53 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.16 120.35 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD21 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.61 -15.41 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -81.51 -42.37 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.65 -25.54 62.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD21 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.34 -62.07 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.441 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.47 -34.34 57.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.31 -19.92 41.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.7 -34.22 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HG ' HD21 ' A' ' 24' ' ' LEU . 8.9 mt -51.34 -24.76 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -58.81 -33.54 70.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -79.56 -26.6 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.06 -5.63 45.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.57 6.53 67.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 131.84 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.409 . . . . 0.0 110.838 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.57 26.4 7.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -134.6 18.11 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.87 17.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.44 -31.6 33.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -81.08 -33.59 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.01 -31.67 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.81 -39.07 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -82.96 -20.19 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG3' HD21 ' A' ' 69' ' ' LEU . 7.1 mmt -79.28 -49.06 13.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -24.77 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.8 -20.7 63.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -74.3 -48.29 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.2 pt -69.35 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.66 106.91 14.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -98.94 -18.97 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.22 3.69 54.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.1 31.01 7.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -105.63 167.83 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.13 51.04 3.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.28 148.97 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.401 ' CG2' HD21 ' A' ' 21' ' ' LEU . 42.5 pt -140.29 138.54 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.27 175.83 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -49.07 -42.03 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -39.39 86.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -68.06 -55.22 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.95 -38.42 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -65.42 -47.3 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -49.09 -27.0 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.49 -43.62 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.84 -43.9 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -23.9 51.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.11 -18.96 44.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.6 m-80 48.98 54.42 16.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.461 ' HB2' HD22 ' A' ' 69' ' ' LEU . 54.4 Cg_endo -69.72 -28.08 25.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.386 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.85 10.79 24.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.5 mm? -101.42 -59.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -59.39 -22.85 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -49.47 -45.97 47.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -84.91 -27.75 26.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.69 -26.0 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.5 -16.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 38.1 mmm -55.94 -24.92 40.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.48 -38.84 85.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -63.49 -61.37 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -53.21 -48.02 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -52.47 -38.34 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -83.39 -19.67 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -52.17 61.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -78.49 -5.5 52.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 pt -132.8 142.02 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.5 t -61.92 123.35 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.53 -15.81 32.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -81.31 -42.15 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.29 -25.14 61.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.8 -62.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.468 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.6 t -53.56 -34.18 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -81.25 -20.03 41.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.74 -34.09 18.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.1 mt -51.42 -24.8 5.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.59 -33.2 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 t -81.33 -26.23 35.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.1 -7.19 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.34 8.06 61.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.29 131.75 43.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.7 26.44 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 m -134.05 18.57 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.59 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 -31.46 32.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -81.2 -33.2 33.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.57 -32.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.5 -40.47 91.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -81.48 -19.64 41.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.431 ' HG3' HD21 ' A' ' 69' ' ' LEU . 10.1 mmt -80.86 -47.24 14.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -23.59 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.68 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.2 -46.29 51.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.3 pt -71.96 -32.38 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -80.57 105.75 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.6 t -97.61 -20.38 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.62 3.3 53.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.24 29.22 9.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -106.33 167.49 9.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -87.06 48.12 3.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 88.0 m-85 -158.82 145.69 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 pt -136.39 138.85 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.46 174.63 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -48.76 -39.48 25.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -38.7 78.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.73 -55.32 10.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.07 -37.83 69.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mm -66.72 -46.14 86.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.1 t -49.38 -27.51 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.86 -41.69 74.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.86 -43.68 35.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -22.43 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.7 -17.83 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.0 m-80 48.49 54.11 15.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.587 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.79 -29.07 24.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.0 6.13 22.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.587 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 1.9 mm? -101.7 -56.93 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.9 mmt -59.78 -18.09 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.42 -51.23 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.55 -29.67 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.96 -50.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -16.66 52.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG2' HG22 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -80.86 -26.58 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 75' ' ' LYS . 2.4 t -89.25 11.86 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.8 mmt -50.23 -31.95 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -65.37 -39.09 91.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -63.08 -61.07 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -54.24 -49.12 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -52.27 -39.31 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -82.13 -19.72 39.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -53.86 -54.75 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -75.0 -24.95 58.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.712 0.292 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 pt -134.13 142.41 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.1 t -65.29 127.33 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 HD21 HG22 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -90.74 -15.73 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -79.16 -43.54 23.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.77 -25.23 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.61 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.463 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -53.56 -33.08 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.61 -20.01 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.67 -32.49 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.2 mt -51.46 -24.96 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.13 -33.97 72.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t -79.99 -25.75 40.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.48 -5.67 46.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 4.68 63.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.38 129.78 39.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.406 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.17 26.46 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -130.49 19.99 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.87 -26.95 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.27 -31.33 30.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -81.52 -31.19 32.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.63 -33.34 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.1 -40.09 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -80.73 -19.93 43.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.408 ' HG3' HD21 ' A' ' 69' ' ' LEU . 5.1 mmt -79.89 -48.22 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -23.09 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.62 -20.64 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.62 -48.85 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.8 pt -69.94 -30.55 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.097 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' HD21 ' A' ' 21' ' ' LEU . 9.1 t70 -89.02 109.43 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.2 5.89 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.39 30.41 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.13 171.75 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -94.67 45.12 2.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.53 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 97.9 m-85 -159.75 145.68 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 HD21 ' A' ' 21' ' ' LEU . 19.8 pt -137.92 140.39 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.63 -179.26 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.79 -45.33 63.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -41.51 96.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -64.82 -57.71 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.0 -39.53 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -64.44 -46.03 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -50.19 -26.84 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 2.2 t80 -69.78 -40.18 76.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.46 -43.92 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.24 -20.7 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.83 -17.58 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.8 m-80 48.9 55.32 17.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.592 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -28.96 24.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.68 6.34 23.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.592 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.0 mm? -101.54 -58.47 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.5 mmt -63.31 -18.71 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -50.2 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -83.7 -30.56 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.6 -51.8 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.29 -16.77 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -27.96 59.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.8 m -107.17 18.35 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -35.53 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -63.37 -45.64 90.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -55.08 -48.64 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -53.01 -39.11 62.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.39 -19.94 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -55.05 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -73.98 -21.22 60.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.8 mttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.333 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.2 pt -133.04 137.24 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.9 t -56.57 123.76 15.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -85.97 -15.3 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -79.45 -46.38 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -66.75 -25.7 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -60.87 -61.91 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.433 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.7 t -54.23 -35.53 62.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.27 -20.25 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.03 -36.57 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' ' 24' ' ' LEU . 10.3 mt -50.84 -51.09 54.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -53.27 -41.89 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -24.93 66.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.14 -13.11 48.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.26 -5.46 28.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.68 133.76 56.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.878 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -100.31 29.76 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 m -135.44 25.63 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -65.72 -25.32 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.33 -39.79 20.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.71 -33.51 58.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 ' HA ' ' A' ' 36' ' ' ALA . 7.6 p -68.69 -32.33 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -62.43 -39.46 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.05 -20.21 35.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -82.21 -45.8 14.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -24.99 28.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.36 -45.86 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 HG21 ' CB ' ' A' ' 61' ' ' SER . 37.5 pt -70.08 -30.13 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 42.6 t0 -79.73 110.0 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.95 -17.06 21.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.35 1.38 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.43 34.87 9.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.56 169.15 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.32 48.61 4.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 18.5 m-85 -165.96 148.02 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 21' ' ' LEU . 12.6 pt -138.83 135.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.8 173.87 8.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.63 -39.85 37.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.17 85.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.29 -57.17 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.41 -38.8 69.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.83 -45.2 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.422 ' CB ' HG21 ' A' ' 46' ' ' ILE . 4.0 m -49.82 -27.43 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.33 -40.06 77.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.93 -44.49 22.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -23.03 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.76 -17.86 49.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.4 m-80 49.18 55.36 17.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.641 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.74 -30.65 22.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.729 2.286 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.3 4.88 23.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.641 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -100.78 -57.66 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.356 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.7 mmt -60.33 -19.53 55.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -58.24 -48.15 81.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.09 -25.04 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.7 t -69.81 -51.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.03 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -26.93 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.68 27.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.5 mmt -47.01 -43.83 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -50.62 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -51.07 -60.72 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp -54.94 -47.77 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -52.61 -45.23 66.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -77.36 -20.24 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.82 -50.65 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -82.01 -8.63 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.9 pt -132.69 137.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 120.86 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -82.51 -16.7 47.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -81.54 -45.66 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.52 -24.91 65.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.91 -61.83 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.441 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.6 t -54.1 -35.05 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.68 -20.14 47.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.57 -34.11 18.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.5 mt -51.58 -25.02 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -58.04 -33.56 69.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 t -78.21 -26.66 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.93 -5.33 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.07 5.56 73.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 133.02 53.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -102.29 23.48 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.0 p -134.33 18.68 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.18 -25.48 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.91 -31.99 27.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.88 -30.03 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.66 -33.57 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.81 -38.65 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.86 -20.87 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.43 ' HG3' HD21 ' A' ' 69' ' ' LEU . 15.1 mmt -79.12 -47.55 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -25.89 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.51 -21.06 65.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.27 -47.46 49.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.431 HG21 ' CB ' ' A' ' 61' ' ' SER . 20.3 pt -67.02 -34.65 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.463 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 39.7 t0 -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -94.74 -14.96 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.29 0.35 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 35.46 14.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.73 169.41 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.43 42.73 3.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -163.92 150.33 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.426 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 3.3 pt -142.46 131.24 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -179.29 7.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.44 -45.24 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -42.54 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 36.1 mt-10 -67.64 -55.42 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -58.34 -36.96 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.24 -46.02 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.431 ' CB ' HG21 ' A' ' 46' ' ' ILE . 2.8 m -47.76 -27.36 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -64.84 -45.38 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -74.68 -44.36 50.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -25.1 57.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.62 -19.32 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 10.2 m-80 48.34 55.14 16.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -24.95 29.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.2 10.54 27.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.6 mm? -101.47 -59.75 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -60.15 -22.68 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -49.79 -46.06 50.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.86 -27.49 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.45 -62.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.72 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -30.44 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.3 -16.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.793 0.33 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.0 mmt -48.27 -41.6 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.51 -40.2 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 -62.03 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp -56.71 -47.26 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -51.66 -41.14 61.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -81.05 -20.17 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -53.46 -42.99 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -90.36 -28.28 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -132.94 137.92 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -55.31 122.51 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -86.25 -16.53 37.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.0 p -82.22 -43.63 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.67 -25.24 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.96 -62.31 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.443 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.96 -35.36 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -79.41 -19.85 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.01 -35.15 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.8 mt -52.16 -25.05 8.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -62.82 -34.37 77.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t -69.27 -26.73 64.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.59 1.9 43.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.35 9.53 72.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 p -51.56 139.73 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -109.93 10.67 24.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -132.16 17.32 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.14 -26.11 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.25 -31.76 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -81.82 -31.48 31.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.12 -32.59 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.73 -38.84 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -84.14 -20.67 32.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.418 ' HG3' HD21 ' A' ' 69' ' ' LEU . 8.1 mmt -79.59 -47.0 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -25.2 34.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -21.19 65.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.75 -47.96 50.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.424 HG21 ' CB ' ' A' ' 61' ' ' SER . 37.1 pt -67.44 -30.44 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 42.7 t0 -77.24 110.9 12.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -95.71 -17.19 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.16 2.08 42.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.25 33.63 7.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 168.73 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.47 49.03 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.2 m-85 -166.25 148.33 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.58 136.49 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.95 174.77 8.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.26 -40.74 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.18 85.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.69 -56.96 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -55.41 -39.58 70.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.93 -46.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.5 m -48.27 -27.35 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -66.76 -44.01 82.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.3 t -74.84 -43.73 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -25.93 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.48 -18.4 54.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 7.2 m-80 49.71 53.2 13.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.604 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 54.1 Cg_endo -69.74 -32.96 17.64 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.763 2.309 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.46 10.82 14.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.604 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -102.79 -58.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.6 -16.69 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -49.18 69.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.82 -30.08 26.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.24 -50.28 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.93 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -27.8 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 m -102.39 25.81 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.4 mmt -46.43 -41.79 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -51.33 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -49.79 -61.73 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp -56.72 -47.28 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -52.67 -40.92 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -79.63 -20.09 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -51.41 64.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -82.97 -6.15 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.712 0.291 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 pt -138.29 137.5 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.21 122.22 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -85.92 -16.12 39.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -81.82 -44.34 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -68.88 -25.87 64.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.29 -61.75 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.45 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.68 -36.11 61.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -78.76 -20.47 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.29 -33.94 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.1 mt -51.93 -24.69 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -33.07 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -81.0 -26.27 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.12 -7.2 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.73 6.34 63.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.97 131.89 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.85 22.41 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -131.37 19.71 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.15 -26.44 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -30.8 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.67 -31.02 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -72.03 -32.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.07 -38.6 79.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -83.83 -20.81 32.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.461 ' HG3' HD21 ' A' ' 69' ' ' LEU . 13.7 mmt -79.69 -47.44 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -24.89 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.39 -21.5 65.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.89 -47.51 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' CB ' ' A' ' 61' ' ' SER . 38.1 pt -67.99 -29.69 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 42.6 t0 -79.71 111.43 16.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -96.23 -17.66 20.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.72 1.58 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 32.81 9.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.96 168.7 8.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.18 49.69 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -165.81 147.02 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG21 ' OE1' ' A' ' 58' ' ' GLU . 14.3 pt -138.15 135.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.27 174.24 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -49.79 -40.29 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.64 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE1' HG21 ' A' ' 54' ' ' ILE . 33.5 mt-10 -68.22 -57.02 6.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -55.27 -38.95 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.6 mm -66.25 -46.31 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.423 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.4 m -48.66 -27.14 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.01 -42.96 84.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.0 t -75.9 -44.03 42.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -23.58 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.68 -18.76 43.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.81 54.29 15.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.543 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.1 Cg_endo -69.83 -29.34 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.22 8.98 20.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.413 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -102.06 -58.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mmt -60.58 -23.35 64.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -50.93 -46.26 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.51 -31.4 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.79 -59.0 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.17 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -30.07 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 m -104.59 22.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.823 0.344 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.9 mmm -53.85 -27.33 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.78 -42.93 90.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -56.07 -50.42 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.56 -48.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -52.19 -40.05 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -81.75 -19.86 40.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -53.74 -53.55 50.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.35 -27.45 60.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -129.47 138.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -59.19 124.93 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -86.12 -14.96 42.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 m -80.94 -46.9 14.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -66.93 -24.99 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -60.7 -62.09 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.454 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.84 -36.18 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.93 -20.28 49.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.32 -34.69 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.8 mt -52.13 -24.63 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -32.1 69.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -79.76 -26.56 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.04 -5.22 45.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.04 10.81 68.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 133.22 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.47 21.63 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 p -131.74 18.31 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.44 12.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.63 -32.81 31.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -80.47 -33.28 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.07 -30.93 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.99 -38.75 92.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -84.11 -20.12 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -82.79 -45.26 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -25.57 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.0 -21.58 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.34 -45.62 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 61' ' ' SER . 22.4 pt -68.72 -34.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 36.1 t0 -70.99 108.02 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -92.31 -17.13 25.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.05 1.9 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.14 34.34 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.17 169.76 8.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.37 42.09 2.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -163.62 150.32 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.436 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 11.2 pt -140.97 135.0 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -174.22 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.51 -44.89 95.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 40.6 mt-10 -70.32 -53.2 17.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.85 -34.62 73.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.78 -43.98 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.416 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.2 m -49.43 -27.09 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.56 -40.89 84.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.0 t -78.56 -44.75 23.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -21.95 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.56 -18.01 46.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 24.5 m-80 49.73 54.98 16.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.632 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -30.24 22.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.73 4.3 23.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.632 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -101.14 -57.54 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.2 mmt -58.55 -26.89 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.94 -45.85 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.28 -27.1 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.25 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.91 -27.5 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -29.64 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.79 -16.01 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.78 0.324 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.2 mmm -51.79 -29.37 18.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.57 -60.88 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -51.71 -48.16 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -52.33 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -80.87 -19.97 43.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -55.63 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -74.43 -23.03 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.1 mttt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.3 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.04 138.19 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.27 120.8 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -83.27 -16.68 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -81.68 -45.63 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -67.91 -26.13 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD21 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.32 -61.55 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.44 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 t -53.77 -35.86 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.19 -20.13 49.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.35 -33.69 19.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.5 mt -51.64 -24.78 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.96 -33.39 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 t -80.42 -26.24 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.47 -6.55 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.19 10.74 62.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.68 131.28 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.408 . . . . 0.0 110.821 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -100.58 21.97 12.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 m -130.81 19.92 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.1 -26.18 15.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.48 -30.94 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -82.65 -30.66 29.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.98 -33.35 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.64 -42.27 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.87 -20.94 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG3' HD21 ' A' ' 69' ' ' LEU . 12.0 mmt -79.0 -50.92 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -24.93 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -21.55 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -71.42 -46.01 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 pt -68.14 -33.82 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 36.3 t0 -68.03 103.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -89.21 -15.53 33.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.22 0.16 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.51 34.98 14.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.66 170.04 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.13 41.17 2.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -164.03 150.56 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.428 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 11.7 pt -141.17 135.94 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -174.99 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.88 -43.5 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 43.9 mt-10 -71.15 -50.9 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -62.6 -34.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.14 -46.94 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t -47.11 -28.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -64.17 -45.71 87.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.9 t -75.2 -44.51 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.19 43.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.23 -18.72 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.0 m-80 47.38 55.21 16.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.442 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.71 -24.77 29.54 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.53 26.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.69 -60.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.408 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -62.89 -23.53 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -50.16 -45.53 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.01 -25.98 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.46 -62.65 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.31 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -30.77 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.4 m -109.36 23.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.84 0.352 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.23 -44.23 88.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -55.01 -60.63 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -57.34 -47.38 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.14 -38.79 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -79.79 -19.85 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -56.09 -57.78 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -74.93 -23.49 58.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.6 pt -133.05 136.49 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.12 123.84 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD21 ' CG2' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -86.41 -16.66 36.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 m -77.23 -45.08 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.09 -25.89 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.18 -61.32 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.7 t -53.97 -33.78 57.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.9 -19.63 40.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.75 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HG ' HD23 ' A' ' 24' ' ' LEU . 10.1 mt -53.21 -52.79 57.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -46.83 -47.57 21.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -54.99 -47.39 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.67 -11.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.1 -7.69 27.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.56 139.72 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 t -110.6 25.44 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.0 m -136.03 17.84 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.91 27.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.7 -31.78 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -79.96 -36.82 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.93 -31.39 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.17 -41.7 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -80.54 -21.16 42.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.452 ' HG3' HD21 ' A' ' 69' ' ' LEU . 19.0 mmt -79.09 -49.95 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -23.6 12.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.17 -21.72 64.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -74.5 -48.62 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.4 pt -69.28 -27.75 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 9.8 t70 -93.55 107.34 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -101.12 -15.45 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.72 2.09 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.44 33.32 8.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -103.7 168.69 8.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -89.66 48.79 3.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-85 -166.11 149.07 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.41 ' CG2' HD21 ' A' ' 21' ' ' LEU . 5.1 pt -140.64 133.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.15 173.9 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.21 -39.61 44.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.13 -55.95 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -56.48 -38.04 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.89 -46.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t -48.9 -27.03 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.05 -43.2 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.4 t -75.86 -44.13 42.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -24.43 54.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.65 -18.7 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 13.8 m-80 48.55 54.94 16.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.456 ' HB2' HD22 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.75 -27.03 27.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 10.4 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.28 -60.05 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -59.67 -22.85 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -49.44 -45.96 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.71 -30.72 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.04 -58.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -20.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -29.43 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 m -105.88 24.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.329 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -104.74 148.07 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.4 -43.3 21.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.4 mmm -57.76 -23.3 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.67 -45.09 88.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -57.17 -60.04 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.76 -46.57 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -53.13 -39.91 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -80.25 -19.94 45.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -53.68 -50.08 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -80.51 -26.48 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.79 68.64 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -97.01 9.51 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.76 10.35 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.97 33.65 86.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.51 170.34 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.59 -13.11 63.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -129.75 165.37 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.437 HG13 HG12 ' A' ' 54' ' ' ILE . 21.2 pt -131.13 137.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.5 t -56.08 121.92 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -85.46 -14.42 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -81.12 -45.77 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.38 -24.98 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -60.96 -61.79 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.44 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 t -54.19 -35.43 62.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.94 -19.91 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.48 -34.34 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.8 mt -51.84 -24.84 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.27 -33.44 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -80.67 -26.26 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.4 -6.45 48.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.31 10.19 64.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.43 131.78 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -101.12 22.25 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -130.31 19.12 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.78 -25.13 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.38 -33.33 28.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -80.55 -32.23 36.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.19 -32.64 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -60.04 -39.05 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -84.0 -20.08 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.423 ' HG3' HD21 ' A' ' 69' ' ' LEU . 5.6 mmt -80.53 -46.58 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -24.78 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.33 64.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.85 -46.13 59.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.43 HG21 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -69.28 -30.36 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 39.7 t0 -76.47 110.19 10.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.01 -16.62 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.48 0.98 37.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 34.29 11.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.77 169.06 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.47 48.53 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.458 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -165.77 150.03 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.437 HG12 HG13 ' A' ' 19' ' ' ILE . 30.8 pt -142.51 141.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.81 -168.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.14 -41.01 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -39.11 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' OE1' HG21 ' A' ' 54' ' ' ILE . 33.0 mt-10 -69.3 -56.96 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -55.76 -37.98 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 mm -66.46 -46.23 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' HG21 ' A' ' 46' ' ' ILE . 4.8 m -49.3 -27.52 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.41 -41.6 80.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.2 t -77.8 -44.69 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -22.28 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.35 -18.2 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 48.93 55.06 17.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.609 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.0 Cg_endo -69.82 -29.3 23.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.1 5.81 23.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.609 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 1.8 mm? -101.36 -58.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.37 -19.17 63.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -48.21 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -84.26 -26.77 28.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.78 -57.12 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.8 -21.47 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -28.69 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 m -108.42 21.93 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.81 171.58 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -70.68 -54.81 10.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.32 -30.38 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -60.37 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -52.76 -46.39 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -52.84 -38.6 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -81.34 -19.85 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -54.66 -49.77 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -84.48 -17.99 37.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -82.56 57.09 3.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -96.94 9.2 42.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -20.05 18.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.8 15.76 38.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.29 175.71 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.29 13.76 66.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -146.48 170.02 17.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.746 0.308 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.43 HG13 HG12 ' A' ' 54' ' ' ILE . 21.0 pt -133.9 138.46 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.98 121.71 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.66 -16.39 39.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -81.55 -45.0 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.76 -26.87 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -61.68 -61.74 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 t -53.25 -36.48 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.76 -20.84 48.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.08 -28.88 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' HD23 ' A' ' 24' ' ' LEU . 10.1 mt -51.75 -24.92 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -62.16 -34.9 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 t -77.15 -25.67 52.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.93 -2.7 41.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.71 10.1 67.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.41 127.57 32.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -97.06 18.01 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 m -119.16 30.62 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -65.4 -27.11 68.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.13 -31.69 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -83.88 -28.15 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 HG13 ' HA ' ' A' ' 36' ' ' ALA . 9.5 p -75.69 -35.15 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -55.89 -41.05 73.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.421 ' HG3' HD21 ' A' ' 69' ' ' LEU . 11.6 mmt -79.64 -51.06 9.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -24.19 28.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.94 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.78 -46.94 50.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -67.02 -29.97 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -74.51 110.64 8.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -94.65 -15.38 24.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 1.12 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.7 34.71 10.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -105.0 169.73 8.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.19 46.12 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -165.65 149.42 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.43 HG12 HG13 ' A' ' 19' ' ' ILE . 33.7 pt -138.84 141.36 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.9 175.18 6.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.58 -41.84 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -39.69 94.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.62 -55.0 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.3 -37.24 69.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.94 -47.52 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.3 t -47.69 -28.04 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.36 -45.43 76.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.3 t -75.1 -44.74 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -24.15 52.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.12 -19.16 40.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.9 m-80 47.71 55.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.73 -27.39 26.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.396 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 8.7 22.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 1.9 mm? -101.49 -59.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.02 -24.35 53.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -50.03 -46.12 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -84.63 -28.27 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.3 t -67.19 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.7 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -31.31 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.63 -16.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.767 0.317 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -127.26 137.55 52.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -115.94 -31.15 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.0 mmm -52.77 -28.83 24.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.63 -34.66 77.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -66.09 -54.52 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -59.87 -44.08 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -53.01 -38.23 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -82.0 -19.57 40.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -54.43 -44.33 72.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.4 m-30 -86.16 -35.02 20.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.87 131.77 51.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -76.26 -21.52 56.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -115.74 -20.16 10.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.48 5.89 61.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.49 159.86 44.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.15 -96.97 1.34 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -154.66 170.61 21.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 pt -140.38 144.26 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.71 125.89 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -89.51 -16.13 31.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -81.58 -43.98 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.41 -25.56 63.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.06 -62.09 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.87 -35.02 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.0 -19.29 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.85 -33.75 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.3 mt -50.82 -40.01 54.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -55.75 -32.58 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.29 -24.3 63.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -86.14 -3.58 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.27 -7.76 58.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.34 129.97 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.944 0.402 . . . . 0.0 110.828 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 t -102.03 27.64 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -136.74 18.44 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.56 -25.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.99 -30.53 28.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -83.23 -28.92 28.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.01 -33.67 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.74 -41.05 81.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -79.03 -20.88 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.417 ' HG3' HD21 ' A' ' 69' ' ' LEU . 11.2 mmt -79.95 -50.41 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -24.46 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.6 -46.64 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.12 -31.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -74.11 111.71 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -95.13 -17.08 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.91 1.73 34.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.08 32.36 9.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -102.7 170.1 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -84.42 42.17 3.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 55.3 m-85 -161.2 145.25 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 21' ' ' LEU . 25.6 pt -137.04 141.55 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.34 176.51 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -50.86 -44.59 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -39.49 94.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -68.31 -56.34 8.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -57.57 -37.98 74.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.68 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -47.72 -27.85 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.97 -45.71 80.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.01 -44.56 47.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -23.52 49.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.11 -19.11 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.45 54.74 16.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.443 ' HB2' HD22 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.74 -27.94 25.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.5 9.97 22.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 2.0 mm? -101.34 -60.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.99 -20.88 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -50.57 -47.49 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -84.77 -28.16 26.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.3 t -66.62 -60.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.12 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -29.73 70.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.77 -15.28 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -126.97 152.12 47.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -99.18 -37.0 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.71 -27.28 27.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.24 -49.05 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -51.65 -59.02 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -54.95 -46.83 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -52.36 -38.51 58.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -83.3 -19.74 35.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -53.74 -48.0 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -83.09 -36.05 25.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.56 130.14 45.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -74.65 -22.48 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 -16.62 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.59 0.77 83.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.98 156.79 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.02 -98.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -154.18 167.35 30.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.738 0.304 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.7 pt -135.47 138.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -56.5 123.32 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -87.47 -16.32 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -81.57 -44.09 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.37 -26.22 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.32 -61.77 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 t -53.33 -35.47 60.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -80.1 -20.19 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.24 -32.28 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.4 mt -51.45 -25.0 5.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -59.23 -33.51 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -78.14 -26.29 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.36 -4.91 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.1 8.99 66.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 130.72 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -101.13 22.84 11.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.4 m -130.4 19.88 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.15 -26.2 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.45 -30.78 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -82.77 -30.47 28.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -72.58 -33.94 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.8 -41.57 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -79.95 -20.8 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.448 ' HG3' HD21 ' A' ' 69' ' ' LEU . 13.2 mmt -78.21 -50.72 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -24.18 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.68 -21.2 64.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.69 -46.49 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.42 HG21 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -68.25 -30.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 40.2 t0 -75.79 110.94 10.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -95.28 -16.83 22.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.87 1.69 37.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 32.25 9.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.547 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -103.46 169.03 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.51 47.81 3.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -166.1 146.41 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 21' ' ' LEU . 20.5 pt -138.34 137.26 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.29 -169.81 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.95 -40.8 97.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -37.35 85.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.1 -55.86 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -56.62 -37.09 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mm -67.04 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.42 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.7 m -48.29 -27.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -67.67 -44.04 78.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.0 t -76.09 -44.46 38.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.72 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.06 -18.51 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.7 m-80 47.91 55.08 16.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.78 -27.71 26.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.52 8.49 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.1 mm? -101.78 -58.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -61.47 -18.99 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -50.5 -48.84 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.03 -33.78 24.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.54 -53.99 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -29.85 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 m -104.66 21.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -102.98 137.96 40.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -126.12 -43.87 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.7 mmm -56.0 -25.55 44.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.28 -42.55 93.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -59.54 -60.84 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -52.47 -48.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -52.01 -41.92 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -80.37 -19.86 45.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -53.6 -54.71 33.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -75.58 -23.16 56.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -79.42 67.01 5.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -96.67 9.52 41.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.54 9.6 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.33 33.68 86.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -97.24 166.92 11.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.345 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.06 -12.75 76.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -132.65 167.99 19.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.311 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 pt -130.23 136.62 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -53.29 119.03 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.92 -15.83 37.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -81.52 -42.14 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.92 -25.18 61.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.26 -61.77 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.452 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.6 t -53.95 -34.35 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.8 -19.89 43.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.12 -34.19 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.0 mt -51.19 -52.15 47.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -48.89 -37.69 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.54 -39.68 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.86 -5.15 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.45 -8.38 34.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 137.92 42.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.837 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -110.51 26.8 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.8 p -137.04 18.9 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.46 -24.54 31.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -82.26 -31.78 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.64 -31.57 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.72 -33.11 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -59.91 -40.15 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -81.09 -20.51 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.448 ' HG3' HD21 ' A' ' 69' ' ' LEU . 10.4 mmt -80.03 -48.49 13.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -22.61 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.86 66.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.03 -45.18 35.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.401 HG23 ' HB2' ' A' ' 62' ' ' PHE . 38.5 pt -70.95 -32.95 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 40.6 t0 -79.9 109.44 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -97.0 -16.68 20.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.33 3.0 45.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.04 33.0 6.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.86 167.73 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -86.16 52.41 4.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -166.25 150.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.41 HG21 ' OE1' ' A' ' 58' ' ' GLU . 38.8 pt -145.76 140.76 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.01 -169.65 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.1 -41.3 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -40.08 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 47' ' ' ASP . 22.6 mt-10 -67.45 -56.35 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.14 -39.78 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mm -65.25 -46.6 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 t -48.92 -26.8 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.401 ' HB2' HG23 ' A' ' 46' ' ' ILE . 1.3 t80 -69.57 -43.83 72.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.75 -43.69 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -24.19 53.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.78 45.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 32.1 m-80 48.83 54.83 16.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.464 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -26.26 27.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.87 10.94 27.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.8 mm? -101.66 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -58.8 -23.6 60.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -48.7 -45.33 39.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.01 -27.98 26.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.0 -62.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.09 -25.11 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -30.92 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.4 m -106.64 23.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.777 0.322 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -73.27 162.89 28.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.36 -32.31 24.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.9 mmm -57.13 -23.98 50.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.94 -48.98 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -51.11 -59.41 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -53.99 -47.85 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.66 -38.98 64.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -79.85 -19.75 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -50.94 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -83.12 -1.99 54.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -77.24 62.79 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -93.04 9.34 36.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -19.8 10.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.48 76.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -63.83 175.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.76 13.15 68.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.535 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -143.34 166.55 24.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 pt -134.66 138.31 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -55.55 122.47 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -85.91 -16.39 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 m -81.35 -45.51 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.31 -26.52 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.63 -61.63 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.6 t -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -79.46 -20.29 47.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.35 -31.72 20.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.6 mt -51.65 -25.05 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -59.39 -33.51 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -75.6 -26.88 58.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.88 -3.67 42.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.09 9.8 69.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 131.32 44.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.947 0.403 . . . . 0.0 110.86 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 23.63 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.6 m -132.33 18.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.97 -25.15 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.62 -32.79 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -81.13 -31.2 34.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.49 -33.97 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.59 -40.18 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -82.32 -20.53 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.453 ' HG3' HD21 ' A' ' 69' ' ' LEU . 10.7 mmt -78.42 -48.99 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -24.09 31.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -21.42 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.44 -46.53 54.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.425 HG21 ' CB ' ' A' ' 61' ' ' SER . 33.9 pt -68.56 -30.63 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 41.4 t0 -76.25 110.4 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.3 t -95.36 -17.12 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.66 1.87 41.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.93 32.7 9.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.32 169.05 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.344 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.91 48.83 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -166.17 146.13 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 21' ' ' LEU . 16.0 pt -138.92 136.21 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -169.56 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.77 -41.54 97.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -37.15 85.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.33 -56.67 6.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.45 -37.12 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.03 -47.49 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.425 ' CB ' HG21 ' A' ' 46' ' ' ILE . 4.0 m -48.77 -27.71 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.78 -42.61 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.73 -44.44 33.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -23.02 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.38 -18.63 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.5 m-80 48.2 55.0 16.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.77 -29.09 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.09 9.14 20.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.531 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -101.85 -58.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mmt -64.12 -19.76 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mmpm? -50.74 -47.65 59.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -84.32 -33.85 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.8 -54.4 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.51 63.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -31.91 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.9 m -95.48 13.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.27 164.82 13.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.51 -59.57 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.4 mmm -54.71 -26.17 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.8 -45.98 90.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -56.3 -60.88 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -51.47 -47.47 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -52.79 -41.55 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -79.69 -20.09 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -53.99 -53.07 58.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -78.74 -5.34 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.14 63.23 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -92.95 9.26 36.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -19.04 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.3 -9.54 72.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.28 175.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.12 20.73 46.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -152.75 165.4 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.747 0.308 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -131.09 138.09 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -60.01 124.38 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -86.91 -14.64 41.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -81.35 -46.42 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -67.34 -26.97 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.3 -62.24 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.3 t -53.51 -36.81 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.9 -20.01 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.25 -33.06 19.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' HG ' HD23 ' A' ' 24' ' ' LEU . 10.0 mt -52.26 -24.88 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -32.33 72.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t -79.1 -25.57 43.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.38 -4.37 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 4.99 65.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 129.74 40.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -101.23 25.61 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -132.56 19.93 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.24 -25.8 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.53 -31.11 29.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.63 -30.08 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.99 -33.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.1 -43.28 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.86 -20.73 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.417 ' HG3' HD21 ' A' ' 69' ' ' LEU . 20.6 mmt -79.73 -51.43 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -24.18 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.49 -20.67 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.65 -45.4 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 ' CB ' ' A' ' 61' ' ' SER . 24.9 pt -68.13 -34.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 34.8 t0 -67.49 102.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -87.49 -16.44 34.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.54 0.82 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.91 34.6 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -103.01 170.34 8.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 40.93 2.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -163.7 150.67 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.423 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 12.9 pt -141.53 136.15 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -174.31 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.24 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -40.35 94.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 42.1 mt-10 -70.34 -53.42 16.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.32 -35.44 75.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.74 -46.46 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.415 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.5 m -47.03 -28.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -45.69 88.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.94 -44.84 46.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -24.31 53.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.86 -19.39 41.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 29.8 m-80 47.97 55.43 16.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.442 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.81 -25.34 28.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.0 10.0 27.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.03 -59.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -60.84 -22.23 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -50.5 -45.81 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.02 -25.81 27.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.79 -63.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.89 -27.21 12.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -31.71 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 m -108.52 24.05 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.72 179.57 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -96.5 -54.18 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.8 -23.87 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.7 -42.22 86.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -58.75 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.89 -48.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.23 -38.79 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -82.77 -19.82 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -54.38 -52.12 62.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -80.26 -3.2 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -90.17 46.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -97.3 9.35 42.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -100.66 -19.98 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.27 23.25 9.77 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -117.15 133.44 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.59 -30.01 26.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -99.15 172.37 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.7 0.286 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 pt -133.73 137.67 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -57.63 122.44 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -86.28 -16.82 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 p -81.76 -43.85 17.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.94 -26.19 64.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD21 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.9 -62.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.442 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.38 -35.84 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.26 -20.36 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.35 -32.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.3 mt -51.74 -24.7 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.01 -33.61 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 t -79.2 -25.98 42.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.76 -5.14 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.13 10.91 61.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.45 130.42 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 110.848 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -101.17 23.39 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -131.05 19.99 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.38 -25.99 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.03 -30.13 28.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -83.87 -28.1 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -75.01 -34.04 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.17 -40.6 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.86 -20.75 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.421 ' HG3' HD21 ' A' ' 69' ' ' LEU . 22.4 mmt -79.76 -51.05 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -24.68 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.28 -20.88 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -72.41 -47.25 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.424 HG21 ' CB ' ' A' ' 61' ' ' SER . 35.7 pt -67.05 -30.93 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 40.2 t0 -74.55 111.14 9.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -95.22 -16.76 22.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.29 1.63 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.26 32.81 10.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -104.06 169.55 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.46 47.66 3.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -165.89 147.04 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.422 HG23 ' HB3' ' A' ' 21' ' ' LEU . 31.7 pt -138.45 141.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.97 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -48.6 -42.13 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -39.46 93.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -69.59 -56.29 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -55.61 -39.05 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.5 -47.38 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.5 m -48.05 -27.33 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -45.69 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.9 t -74.37 -44.36 52.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -57.2 -26.62 60.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.65 56.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.455 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 49.59 53.58 14.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -32.06 19.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.345 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.57 11.56 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -101.89 -59.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -61.1 -19.28 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.84 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.75 -28.63 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.01 -59.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.2 -21.45 33.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.74 24.53 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.766 0.317 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -62.66 164.22 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -101.95 -35.89 8.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 9.5 mmt -46.23 -44.78 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -45.83 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -55.11 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.75 -49.2 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -52.53 -40.82 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -79.48 -20.01 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -59.39 4.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -73.06 -23.05 60.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.31 60.19 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -97.01 9.24 42.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.33 -19.91 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.21 19.28 33.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.41 171.7 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.02 7.13 81.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -145.13 169.83 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.3 pt -133.76 138.33 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.9 122.76 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -86.18 -16.23 38.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.15 -25.64 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD21 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.31 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.431 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -53.95 -34.62 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.24 -20.22 45.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.45 -33.83 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.6 mt -51.31 -25.44 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -57.55 -33.86 68.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -81.2 -26.31 36.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.27 -7.81 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.38 0.77 62.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.66 131.26 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -101.62 20.76 15.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.3 m -128.66 19.75 6.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.95 -25.97 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.62 -31.21 28.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.64 -30.05 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.1 -33.37 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -57.82 -38.75 76.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.46 -20.48 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.435 ' HG3' HD21 ' A' ' 69' ' ' LEU . 7.4 mmt -79.63 -48.14 14.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -25.04 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.93 -47.97 48.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.427 HG21 ' CB ' ' A' ' 61' ' ' SER . 33.7 pt -67.02 -31.13 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 42.1 t0 -77.22 110.73 12.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.89 -16.85 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.24 1.25 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.17 33.8 11.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 169.06 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.09 48.71 4.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -165.82 148.0 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.0 pt -139.02 136.3 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.77 175.06 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.79 -42.59 47.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -40.28 91.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.99 -57.14 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.61 -39.49 73.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.35 -46.49 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.427 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.4 m -48.15 -28.29 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -65.48 -44.21 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.8 t -75.38 -44.26 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -23.72 48.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.24 -18.75 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 15.2 m-80 47.76 55.01 16.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.655 0.741 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.479 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.74 -28.33 25.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.248 . . . . 0.0 112.307 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.76 8.91 21.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 1.8 mm? -102.13 -60.48 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -53.06 -29.63 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -46.57 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -85.52 -27.63 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.65 -60.51 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.95 -20.76 40.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -32.37 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.6 t -78.29 -16.92 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.46 -29.13 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -57.0 -56.39 22.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.9 mmm -52.06 -29.2 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.49 -41.09 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -58.0 -38.47 76.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -78.97 -44.45 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -76.0 -20.98 57.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -75.45 -8.68 57.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.35 60.53 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.1 9.58 39.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.32 -16.85 12.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.56 -9.36 77.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -67.3 174.35 3.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.12 24.63 30.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -152.18 163.7 38.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.723 0.297 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.05 138.85 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -59.92 122.51 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -84.89 -16.49 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -81.9 -46.41 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.68 -25.16 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.94 -61.74 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.452 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.7 t -53.68 -35.53 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.18 -20.6 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.25 -32.93 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.6 mt -51.47 -24.9 5.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -58.9 -33.01 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -77.45 -26.78 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.77 -5.03 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.28 10.11 68.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 133.15 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.967 0.413 . . . . 0.0 110.844 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.14 22.68 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 m -133.67 18.64 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.38 -25.82 17.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.67 -30.75 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -82.94 -30.02 28.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -72.99 -33.1 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.99 -38.82 76.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -83.33 -20.49 34.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.431 ' HG3' HD21 ' A' ' 69' ' ' LEU . 7.2 mmt -79.78 -47.99 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -25.41 32.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.46 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -72.04 -46.53 56.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 pt -67.43 -33.32 61.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 34.9 t0 -70.22 106.93 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 t -90.73 -17.57 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.22 1.33 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.97 34.3 11.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -102.0 170.22 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.3 40.51 2.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.52 150.5 12.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.439 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 14.2 pt -141.18 136.28 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.93 174.92 8.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -40.96 63.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -40.86 96.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 38.4 mt-10 -70.78 -53.26 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.46 -37.45 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.27 -45.57 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -48.22 -26.94 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.51 -45.16 80.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.35 -44.61 44.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.19 -23.87 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.26 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.429 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 8.2 m-80 48.16 55.52 17.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.46 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 -24.6 29.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.92 10.57 28.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.73 -59.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.909 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -60.85 -26.09 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -49.34 -43.17 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.37 -25.06 27.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.42 -26.53 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -32.31 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -105.58 23.99 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.844 0.354 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -108.54 150.2 27.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -77.66 -53.37 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.803 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.8 mmm -51.23 -30.04 16.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.56 -43.3 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -56.99 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -52.82 -47.79 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -52.61 -37.92 59.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -83.14 -19.69 36.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -54.37 -50.05 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -82.16 -17.75 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -86.76 52.65 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -97.14 9.39 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -94.21 -20.58 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.26 24.4 8.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -108.37 176.32 5.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.9 -2.65 62.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -130.64 173.26 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.7 pt -135.19 137.53 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.16 120.35 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD21 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.61 -15.41 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -81.51 -42.37 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.65 -25.54 62.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD21 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.34 -62.07 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.441 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.47 -34.34 57.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.31 -19.92 41.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.7 -34.22 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HG ' HD21 ' A' ' 24' ' ' LEU . 8.9 mt -51.34 -24.76 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -58.81 -33.54 70.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -79.56 -26.6 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.06 -5.63 45.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.57 6.53 67.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 131.84 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.409 . . . . 0.0 110.838 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.57 26.4 7.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -134.6 18.11 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.87 17.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.44 -31.6 33.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -81.08 -33.59 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.01 -31.67 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.81 -39.07 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -82.96 -20.19 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG3' HD21 ' A' ' 69' ' ' LEU . 7.1 mmt -79.28 -49.06 13.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -24.77 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.8 -20.7 63.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -74.3 -48.29 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.2 pt -69.35 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.66 106.91 14.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -98.94 -18.97 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.22 3.69 54.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.1 31.01 7.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -105.63 167.83 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.13 51.04 3.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.28 148.97 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.401 ' CG2' HD21 ' A' ' 21' ' ' LEU . 42.5 pt -140.29 138.54 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.27 175.83 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -49.07 -42.03 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -39.39 86.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -68.06 -55.22 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.95 -38.42 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -65.42 -47.3 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -49.09 -27.0 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.49 -43.62 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.84 -43.9 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -23.9 51.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.11 -18.96 44.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.6 m-80 48.98 54.42 16.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.461 ' HB2' HD22 ' A' ' 69' ' ' LEU . 54.4 Cg_endo -69.72 -28.08 25.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.386 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.85 10.79 24.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.5 mm? -101.42 -59.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -59.39 -22.85 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -49.47 -45.97 47.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -84.91 -27.75 26.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.69 -26.0 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.5 -16.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.765 0.316 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.81 154.1 47.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -121.98 -47.48 2.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 38.1 mmm -55.94 -24.92 40.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.48 -38.84 85.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -63.49 -61.37 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -53.21 -48.02 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -52.47 -38.34 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -83.39 -19.67 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -52.17 61.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -78.49 -5.5 52.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -88.48 49.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -97.2 8.62 44.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -100.58 -19.95 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.66 25.35 9.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.545 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -115.61 139.78 49.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.45 -22.8 39.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -108.38 173.71 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 pt -132.8 142.02 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.5 t -61.92 123.35 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.53 -15.81 32.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -81.31 -42.15 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.29 -25.14 61.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.8 -62.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.468 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.6 t -53.56 -34.18 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -81.25 -20.03 41.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.74 -34.09 18.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.1 mt -51.42 -24.8 5.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.59 -33.2 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 t -81.33 -26.23 35.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.1 -7.19 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.34 8.06 61.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.29 131.75 43.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.7 26.44 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 m -134.05 18.57 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.59 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 -31.46 32.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -81.2 -33.2 33.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.57 -32.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.5 -40.47 91.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -81.48 -19.64 41.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.431 ' HG3' HD21 ' A' ' 69' ' ' LEU . 10.1 mmt -80.86 -47.24 14.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -23.59 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.68 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.2 -46.29 51.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.3 pt -71.96 -32.38 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -80.57 105.75 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.6 t -97.61 -20.38 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.62 3.3 53.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.24 29.22 9.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -106.33 167.49 9.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -87.06 48.12 3.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 88.0 m-85 -158.82 145.69 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 pt -136.39 138.85 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.46 174.63 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -48.76 -39.48 25.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -38.7 78.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.73 -55.32 10.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.07 -37.83 69.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mm -66.72 -46.14 86.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.1 t -49.38 -27.51 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.86 -41.69 74.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.86 -43.68 35.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -22.43 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.7 -17.83 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.0 m-80 48.49 54.11 15.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.587 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.79 -29.07 24.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.0 6.13 22.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.587 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 1.9 mm? -101.7 -56.93 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.9 mmt -59.78 -18.09 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.42 -51.23 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.55 -29.67 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.96 -50.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -16.66 52.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG2' HG22 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -80.86 -26.58 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 75' ' ' LYS . 2.4 t -89.25 11.86 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.768 0.318 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -86.66 174.75 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -96.1 -44.43 7.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.8 mmt -50.23 -31.95 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -65.37 -39.09 91.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -63.08 -61.07 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -54.24 -49.12 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -52.27 -39.31 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -82.13 -19.72 39.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -53.86 -54.75 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -75.0 -24.95 58.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.31 64.14 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -97.12 9.92 40.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.2 11.67 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.07 33.55 86.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.448 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -100.97 172.26 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.73 7.63 74.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -148.78 172.81 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.292 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 pt -134.13 142.41 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.1 t -65.29 127.33 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 HD21 HG22 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -90.74 -15.73 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -79.16 -43.54 23.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.77 -25.23 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD23 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.61 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -53.56 -33.08 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.61 -20.01 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.67 -32.49 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.2 mt -51.46 -24.96 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.13 -33.97 72.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t -79.99 -25.75 40.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.48 -5.67 46.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 4.68 63.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.38 129.78 39.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.406 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.17 26.46 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -130.49 19.99 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.87 -26.95 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.27 -31.33 30.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -81.52 -31.19 32.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.63 -33.34 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.1 -40.09 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -80.73 -19.93 43.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.408 ' HG3' HD21 ' A' ' 69' ' ' LEU . 5.1 mmt -79.89 -48.22 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -23.09 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.62 -20.64 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.62 -48.85 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.8 pt -69.94 -30.55 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.097 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' HD21 ' A' ' 21' ' ' LEU . 9.1 t70 -89.02 109.43 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.2 5.89 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.39 30.41 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.13 171.75 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -94.67 45.12 2.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 97.9 m-85 -159.75 145.68 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 HD21 ' A' ' 21' ' ' LEU . 19.8 pt -137.92 140.39 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.63 -179.26 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.79 -45.33 63.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -41.51 96.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -64.82 -57.71 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.0 -39.53 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -64.44 -46.03 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -50.19 -26.84 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 2.2 t80 -69.78 -40.18 76.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.46 -43.92 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.24 -20.7 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.83 -17.58 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.8 m-80 48.9 55.32 17.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.592 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -28.96 24.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.68 6.34 23.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.592 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.0 mm? -101.54 -58.47 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.5 mmt -63.31 -18.71 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -50.2 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -83.7 -30.56 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.6 -51.8 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.29 -16.77 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -27.96 59.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.8 m -107.17 18.35 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -153.37 160.11 42.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -66.97 -25.83 66.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -35.53 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -63.37 -45.64 90.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -55.08 -48.64 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -53.01 -39.11 62.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.39 -19.94 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -55.05 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -73.98 -21.22 60.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -76.36 66.81 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -95.98 9.57 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.156 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -20.13 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.6 66.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -62.16 175.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.75 17.83 58.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -150.63 165.13 34.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.333 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.2 pt -133.04 137.24 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.9 t -56.57 123.76 15.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -85.97 -15.3 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -79.45 -46.38 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -66.75 -25.7 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -60.87 -61.91 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.433 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.7 t -54.23 -35.53 62.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.27 -20.25 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.03 -36.57 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' ' 24' ' ' LEU . 10.3 mt -50.84 -51.09 54.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -53.27 -41.89 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -24.93 66.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.14 -13.11 48.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.26 -5.46 28.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.68 133.76 56.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.878 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -100.31 29.76 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 m -135.44 25.63 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -65.72 -25.32 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.33 -39.79 20.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.71 -33.51 58.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 ' HA ' ' A' ' 36' ' ' ALA . 7.6 p -68.69 -32.33 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -62.43 -39.46 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.05 -20.21 35.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -82.21 -45.8 14.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -24.99 28.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.36 -45.86 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 HG21 ' CB ' ' A' ' 61' ' ' SER . 37.5 pt -70.08 -30.13 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 42.6 t0 -79.73 110.0 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.95 -17.06 21.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.35 1.38 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.43 34.87 9.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.56 169.15 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.32 48.61 4.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 18.5 m-85 -165.96 148.02 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 21' ' ' LEU . 12.6 pt -138.83 135.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.8 173.87 8.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.63 -39.85 37.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.17 85.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.29 -57.17 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.41 -38.8 69.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.83 -45.2 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.422 ' CB ' HG21 ' A' ' 46' ' ' ILE . 4.0 m -49.82 -27.43 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.33 -40.06 77.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.93 -44.49 22.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -23.03 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.76 -17.86 49.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.4 m-80 49.18 55.36 17.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.641 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.74 -30.65 22.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.729 2.286 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.3 4.88 23.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.641 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -100.78 -57.66 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.356 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.7 mmt -60.33 -19.53 55.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -58.24 -48.15 81.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.09 -25.04 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.7 t -69.81 -51.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.03 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -26.93 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.68 27.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.779 0.323 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.56 149.71 41.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.19 -34.08 5.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.5 mmt -47.01 -43.83 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -50.62 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -51.07 -60.72 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp -54.94 -47.77 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -52.61 -45.23 66.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -77.36 -20.24 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.82 -50.65 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -82.01 -8.63 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -77.87 59.77 2.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -88.12 9.35 22.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -17.44 12.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.92 -9.16 73.22 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.26 175.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.93 20.55 46.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -152.47 166.03 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.9 pt -132.69 137.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 120.86 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -82.51 -16.7 47.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -81.54 -45.66 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.52 -24.91 65.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.91 -61.83 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.441 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.6 t -54.1 -35.05 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.68 -20.14 47.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.57 -34.11 18.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.5 mt -51.58 -25.02 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -58.04 -33.56 69.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 t -78.21 -26.66 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.93 -5.33 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.07 5.56 73.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 133.02 53.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -102.29 23.48 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.0 p -134.33 18.68 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.18 -25.48 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.91 -31.99 27.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.88 -30.03 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.66 -33.57 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.81 -38.65 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.86 -20.87 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.43 ' HG3' HD21 ' A' ' 69' ' ' LEU . 15.1 mmt -79.12 -47.55 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -25.89 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.51 -21.06 65.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.27 -47.46 49.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.431 HG21 ' CB ' ' A' ' 61' ' ' SER . 20.3 pt -67.02 -34.65 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.463 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 39.7 t0 -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -94.74 -14.96 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.29 0.35 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 35.46 14.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.73 169.41 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.43 42.73 3.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -163.92 150.33 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.426 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 3.3 pt -142.46 131.24 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -179.29 7.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.44 -45.24 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -42.54 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 36.1 mt-10 -67.64 -55.42 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -58.34 -36.96 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.24 -46.02 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.431 ' CB ' HG21 ' A' ' 46' ' ' ILE . 2.8 m -47.76 -27.36 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -64.84 -45.38 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -74.68 -44.36 50.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -25.1 57.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.62 -19.32 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 10.2 m-80 48.34 55.14 16.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -24.95 29.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.2 10.54 27.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.6 mm? -101.47 -59.75 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -60.15 -22.68 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -49.79 -46.06 50.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.86 -27.49 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.45 -62.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.72 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -30.44 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.3 -16.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.762 0.315 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -115.47 -176.31 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.4 -72.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.0 mmt -48.27 -41.6 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.51 -40.2 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 -62.03 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp -56.71 -47.26 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -51.66 -41.14 61.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -81.05 -20.17 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -53.46 -42.99 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -90.36 -28.28 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.1 68.69 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -96.9 9.56 41.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.5 10.51 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.14 33.55 86.19 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.76 165.94 12.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.05 1.81 86.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -146.47 169.13 19.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -132.94 137.92 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -55.31 122.51 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -86.25 -16.53 37.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.0 p -82.22 -43.63 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.67 -25.24 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.96 -62.31 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.443 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.96 -35.36 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -79.41 -19.85 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.01 -35.15 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.8 mt -52.16 -25.05 8.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -62.82 -34.37 77.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t -69.27 -26.73 64.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.59 1.9 43.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.35 9.53 72.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 p -51.56 139.73 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -109.93 10.67 24.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -132.16 17.32 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.14 -26.11 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.25 -31.76 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -81.82 -31.48 31.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.12 -32.59 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.73 -38.84 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -84.14 -20.67 32.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.418 ' HG3' HD21 ' A' ' 69' ' ' LEU . 8.1 mmt -79.59 -47.0 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -25.2 34.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -21.19 65.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.75 -47.96 50.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.424 HG21 ' CB ' ' A' ' 61' ' ' SER . 37.1 pt -67.44 -30.44 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 42.7 t0 -77.24 110.9 12.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -95.71 -17.19 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.16 2.08 42.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.25 33.63 7.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 168.73 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.47 49.03 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.2 m-85 -166.25 148.33 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.58 136.49 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.95 174.77 8.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.26 -40.74 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.18 85.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.69 -56.96 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -55.41 -39.58 70.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.93 -46.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.5 m -48.27 -27.35 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -66.76 -44.01 82.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.3 t -74.84 -43.73 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -25.93 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.48 -18.4 54.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 7.2 m-80 49.71 53.2 13.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.604 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 54.1 Cg_endo -69.74 -32.96 17.64 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.763 2.309 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.46 10.82 14.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.604 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -102.79 -58.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.6 -16.69 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -49.18 69.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.82 -30.08 26.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.24 -50.28 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.93 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -27.8 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 m -102.39 25.81 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 t70 75.85 -5.14 2.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -49.08 -50.44 36.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.4 mmt -46.43 -41.79 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -51.33 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -49.79 -61.73 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp -56.72 -47.28 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -52.67 -40.92 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -79.63 -20.09 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -51.41 64.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -82.97 -6.15 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -75.63 68.44 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -94.73 9.07 40.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.67 -19.5 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.83 -9.52 73.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.67 176.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.68 22.8 31.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -152.14 169.4 22.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.712 0.291 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 pt -138.29 137.5 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.21 122.22 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -85.92 -16.12 39.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -81.82 -44.34 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -68.88 -25.87 64.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.29 -61.75 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.45 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.68 -36.11 61.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -78.76 -20.47 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.29 -33.94 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.1 mt -51.93 -24.69 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -33.07 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -81.0 -26.27 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.12 -7.2 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.73 6.34 63.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.97 131.89 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.85 22.41 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -131.37 19.71 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.15 -26.44 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -30.8 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.67 -31.02 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -72.03 -32.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.07 -38.6 79.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -83.83 -20.81 32.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.461 ' HG3' HD21 ' A' ' 69' ' ' LEU . 13.7 mmt -79.69 -47.44 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -24.89 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.39 -21.5 65.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.89 -47.51 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' CB ' ' A' ' 61' ' ' SER . 38.1 pt -67.99 -29.69 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 42.6 t0 -79.71 111.43 16.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -96.23 -17.66 20.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.72 1.58 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 32.81 9.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.96 168.7 8.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.18 49.69 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -165.81 147.02 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG21 ' OE1' ' A' ' 58' ' ' GLU . 14.3 pt -138.15 135.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.27 174.24 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -49.79 -40.29 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.64 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE1' HG21 ' A' ' 54' ' ' ILE . 33.5 mt-10 -68.22 -57.02 6.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -55.27 -38.95 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.6 mm -66.25 -46.31 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.423 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.4 m -48.66 -27.14 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.01 -42.96 84.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.0 t -75.9 -44.03 42.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -23.58 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.68 -18.76 43.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.81 54.29 15.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.543 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.1 Cg_endo -69.83 -29.34 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.22 8.98 20.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.413 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -102.06 -58.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mmt -60.58 -23.35 64.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -50.93 -46.26 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.51 -31.4 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.79 -59.0 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.17 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -30.07 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 m -104.59 22.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.92 166.97 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -71.2 -57.76 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.9 mmm -53.85 -27.33 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.78 -42.93 90.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -56.07 -50.42 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.56 -48.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -52.19 -40.05 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -81.75 -19.86 40.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -53.74 -53.55 50.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.35 -27.45 60.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.15 63.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -96.61 9.57 41.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.85 13.41 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.26 33.43 86.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -98.22 174.93 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.3 8.85 59.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -152.06 165.92 33.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -129.47 138.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -59.19 124.93 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -86.12 -14.96 42.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 m -80.94 -46.9 14.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -66.93 -24.99 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -60.7 -62.09 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.454 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.4 t -53.84 -36.18 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.93 -20.28 49.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.32 -34.69 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' A' ' 24' ' ' LEU . 9.8 mt -52.13 -24.63 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -32.1 69.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -79.76 -26.56 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.04 -5.22 45.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.04 10.81 68.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 133.22 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.47 21.63 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 p -131.74 18.31 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.44 12.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.63 -32.81 31.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -80.47 -33.28 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.07 -30.93 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.99 -38.75 92.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -84.11 -20.12 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -82.79 -45.26 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -25.57 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.0 -21.58 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.34 -45.62 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 61' ' ' SER . 22.4 pt -68.72 -34.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 36.1 t0 -70.99 108.02 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -92.31 -17.13 25.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.05 1.9 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.14 34.34 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.17 169.76 8.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.37 42.09 2.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -163.62 150.32 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.436 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 11.2 pt -140.97 135.0 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -174.22 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.51 -44.89 95.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 40.6 mt-10 -70.32 -53.2 17.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.85 -34.62 73.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.78 -43.98 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.416 ' CB ' HG21 ' A' ' 46' ' ' ILE . 3.2 m -49.43 -27.09 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.56 -40.89 84.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.0 t -78.56 -44.75 23.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -21.95 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.56 -18.01 46.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 24.5 m-80 49.73 54.98 16.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.632 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -30.24 22.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.73 4.3 23.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.632 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -101.14 -57.54 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.2 mmt -58.55 -26.89 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.94 -45.85 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.28 -27.1 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.25 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.91 -27.5 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -29.64 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.79 -16.01 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.796 0.332 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.36 146.75 33.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -125.69 -57.1 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.2 mmm -51.79 -29.37 18.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.57 -60.88 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -51.71 -48.16 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -52.33 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -80.87 -19.97 43.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -55.63 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -74.43 -23.03 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -76.46 66.62 2.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -96.41 9.31 41.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -19.67 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.75 -9.09 64.01 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.1 p30 -63.79 170.39 3.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.14 20.96 44.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -152.96 166.75 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.04 138.19 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.27 120.8 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -83.27 -16.68 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -81.68 -45.63 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -67.91 -26.13 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD21 ' HG ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.32 -61.55 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.44 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 t -53.77 -35.86 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.19 -20.13 49.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.35 -33.69 19.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' HG ' HD21 ' A' ' 24' ' ' LEU . 9.5 mt -51.64 -24.78 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.96 -33.39 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 t -80.42 -26.24 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.47 -6.55 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.19 10.74 62.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.68 131.28 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.408 . . . . 0.0 110.821 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -100.58 21.97 12.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 m -130.81 19.92 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.1 -26.18 15.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.48 -30.94 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -82.65 -30.66 29.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.98 -33.35 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.64 -42.27 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.87 -20.94 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG3' HD21 ' A' ' 69' ' ' LEU . 12.0 mmt -79.0 -50.92 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -24.93 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -21.55 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -71.42 -46.01 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 pt -68.14 -33.82 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 36.3 t0 -68.03 103.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -89.21 -15.53 33.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.22 0.16 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.51 34.98 14.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.66 170.04 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.13 41.17 2.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -164.03 150.56 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.428 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 11.7 pt -141.17 135.94 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -174.99 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.88 -43.5 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 43.9 mt-10 -71.15 -50.9 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -62.6 -34.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.14 -46.94 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t -47.11 -28.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -64.17 -45.71 87.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.9 t -75.2 -44.51 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.19 43.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.23 -18.72 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.0 m-80 47.38 55.21 16.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.442 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.71 -24.77 29.54 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.53 26.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.69 -60.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.408 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -62.89 -23.53 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -50.16 -45.53 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.01 -25.98 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.46 -62.65 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.31 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -30.77 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.4 m -109.36 23.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.738 0.304 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -144.14 155.28 43.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.24 -27.06 68.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.23 -44.23 88.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -55.01 -60.63 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -57.34 -47.38 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.14 -38.79 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -79.79 -19.85 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -56.09 -57.78 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -74.93 -23.49 58.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -81.16 64.67 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -96.07 9.63 40.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.0 9.49 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.22 33.62 86.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.534 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -97.29 169.37 9.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.32 4.5 82.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -147.38 168.72 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.6 pt -133.05 136.49 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.12 123.84 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD21 ' CG2' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -86.41 -16.66 36.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 m -77.23 -45.08 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.09 -25.89 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.18 -61.32 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 1.7 t -53.97 -33.78 57.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.9 -19.63 40.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.75 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HG ' HD23 ' A' ' 24' ' ' LEU . 10.1 mt -53.21 -52.79 57.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -46.83 -47.57 21.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -54.99 -47.39 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.67 -11.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.1 -7.69 27.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.56 139.72 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 t -110.6 25.44 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.0 m -136.03 17.84 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.91 27.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.7 -31.78 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -79.96 -36.82 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.93 -31.39 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.17 -41.7 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -80.54 -21.16 42.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.452 ' HG3' HD21 ' A' ' 69' ' ' LEU . 19.0 mmt -79.09 -49.95 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -23.6 12.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.17 -21.72 64.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -74.5 -48.62 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.4 pt -69.28 -27.75 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 9.8 t70 -93.55 107.34 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -101.12 -15.45 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.72 2.09 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.44 33.32 8.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -103.7 168.69 8.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -89.66 48.79 3.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-85 -166.11 149.07 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.41 ' CG2' HD21 ' A' ' 21' ' ' LEU . 5.1 pt -140.64 133.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.15 173.9 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.21 -39.61 44.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.13 -55.95 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -56.48 -38.04 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.89 -46.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t -48.9 -27.03 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.05 -43.2 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.4 t -75.86 -44.13 42.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -24.43 54.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.65 -18.7 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 13.8 m-80 48.55 54.94 16.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.456 ' HB2' HD22 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.75 -27.03 27.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 10.4 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.28 -60.05 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -59.67 -22.85 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -49.44 -45.96 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.71 -30.72 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.04 -58.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -20.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -29.43 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 m -105.88 24.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.609 ' O ' HD12 ' A' ' 7' ' ' ILE . 6.2 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.4 mmm -57.76 -23.3 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.67 -45.09 88.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -57.17 -60.04 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -53.76 -46.57 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -53.13 -39.91 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -80.25 -19.94 45.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -53.68 -50.08 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.5 m-85 -80.51 -26.48 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.469 HG13 HG12 ' A' ' 54' ' ' ILE . 21.2 pt -131.13 137.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.5 t -56.08 121.92 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.46 -14.42 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.633 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -81.12 -45.77 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.38 -24.98 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.862 HD13 ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -60.96 -61.79 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.862 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -54.19 -35.43 62.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.94 -19.91 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.48 -34.34 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD12 HG11 ' A' ' 39' ' ' VAL . 9.8 mt -51.84 -24.84 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.27 -33.44 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -80.67 -26.26 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.2 mm? -74.4 -6.45 48.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.31 10.19 64.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.43 131.78 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -101.12 22.25 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -130.31 19.12 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.78 -25.13 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.38 -33.33 28.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -80.55 -32.23 36.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.502 HG11 HD12 ' A' ' 28' ' ' LEU . 11.4 p -70.19 -32.64 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 12.8 tt0 -60.04 -39.05 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -84.0 -20.08 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mmt -80.53 -46.58 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.472 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.73 -24.78 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.33 64.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.85 -46.13 59.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.421 HG22 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -69.28 -30.36 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' OD2' HD21 ' A' ' 21' ' ' LEU . 39.7 t0 -76.47 110.19 10.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.01 -16.62 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.48 0.98 37.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 34.29 11.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.77 169.06 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.47 48.53 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.458 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -165.77 150.03 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.63 ' CG2' HD23 ' A' ' 21' ' ' LEU . 30.8 pt -142.51 141.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.81 -168.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.14 -41.01 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -39.11 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.3 -56.96 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -55.76 -37.98 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 mm -66.46 -46.23 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.421 ' CB ' HG22 ' A' ' 46' ' ' ILE . 4.8 m -49.3 -27.52 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.6 t80 -68.41 -41.6 80.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.2 t -77.8 -44.69 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -22.28 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.35 -18.2 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 48.93 55.06 17.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.0 Cg_endo -69.82 -29.3 23.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.1 5.81 23.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.8 mm? -101.36 -58.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.37 -19.17 63.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -48.21 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -84.26 -26.77 28.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 69' ' ' LEU . 42.4 t -67.78 -57.12 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.8 -21.47 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -65.44 -28.69 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.421 HG13 ' HG2' ' A' ' 75' ' ' LYS . 6.1 m -108.42 21.93 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.645 ' O ' HD12 ' A' ' 7' ' ' ILE . 77.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.329 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.32 -30.38 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -60.37 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -52.76 -46.39 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.408 ' O ' HG21 ' A' ' 19' ' ' ILE . 75.0 t80 -52.84 -38.6 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -81.34 -19.85 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.426 HH22 HD11 ' A' ' 31' ' ' LEU . 17.4 ttt180 -54.66 -49.77 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CE2' HD23 ' A' ' 24' ' ' LEU . 9.6 m-30 -84.48 -17.99 37.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.746 0.308 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.46 HG13 HG12 ' A' ' 54' ' ' ILE . 21.0 pt -133.9 138.46 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -56.98 121.71 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.668 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -85.66 -16.39 39.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.642 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.4 m -81.55 -45.0 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.76 -26.87 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -61.68 -61.74 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.86 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.25 -36.48 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.76 -20.84 48.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.08 -28.88 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.781 HD12 HG11 ' A' ' 39' ' ' VAL . 10.1 mt -51.75 -24.92 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -62.16 -34.9 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.1 t -77.15 -25.67 52.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD11 HH22 ' A' ' 10' ' ' ARG . 3.1 mm? -78.93 -2.7 41.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.71 10.1 67.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.41 127.57 32.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -97.06 18.01 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 m -119.16 30.62 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.4 -27.11 68.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.13 -31.69 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -83.88 -28.15 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.781 HG11 HD12 ' A' ' 28' ' ' LEU . 9.5 p -75.69 -35.15 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -55.89 -41.05 73.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.6 mmt -79.64 -51.06 9.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -24.19 28.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.94 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.78 -46.94 50.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -67.02 -29.97 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OD2' HD21 ' A' ' 21' ' ' LEU . 38.1 t0 -74.51 110.64 8.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -94.65 -15.38 24.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 1.12 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.7 34.71 10.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -105.0 169.73 8.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.19 46.12 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -165.65 149.42 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.668 ' CG2' HD23 ' A' ' 21' ' ' LEU . 33.7 pt -138.84 141.36 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.9 175.18 6.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.58 -41.84 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -39.69 94.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.62 -55.0 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.3 -37.24 69.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.94 -47.52 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.3 t -47.69 -28.04 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.36 -45.43 76.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.3 t -75.1 -44.74 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -24.15 52.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.12 -19.16 40.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.9 m-80 47.71 55.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.621 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.73 -27.39 26.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.396 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 8.7 22.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.9 mm? -101.49 -59.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.02 -24.35 53.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -50.03 -46.12 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -84.63 -28.27 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.3 t -67.19 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.7 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -31.31 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.63 -16.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.66 ' O ' HD12 ' A' ' 7' ' ' ILE . 52.3 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.0 mmm -52.77 -28.83 24.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.63 -34.66 77.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -66.09 -54.52 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -59.87 -44.08 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -53.01 -38.23 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -82.0 -19.57 40.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -54.43 -44.33 72.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.629 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.4 m-30 -86.16 -35.02 20.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.449 HD12 ' HD2' ' A' ' 11' ' ' PHE . 50.1 pt -140.38 144.26 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.71 125.89 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -89.51 -16.13 31.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.8 m -81.58 -43.98 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.41 -25.56 63.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.06 -62.09 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.87 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.87 -35.02 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.0 -19.29 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' O ' HG22 ' A' ' 30' ' ' THR . . . -88.85 -33.75 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 HG11 ' A' ' 39' ' ' VAL . 9.3 mt -50.82 -40.01 54.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -55.75 -32.58 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -70.29 -24.3 63.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -86.14 -3.58 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.27 -7.76 58.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.34 129.97 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.944 0.402 . . . . 0.0 110.828 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 t -102.03 27.64 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -136.74 18.44 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.56 -25.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.99 -30.53 28.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' A' ' 69' ' ' LEU . 14.5 tt0 -83.23 -28.92 28.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -74.01 -33.67 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -57.74 -41.05 81.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -79.03 -20.88 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmt -79.95 -50.41 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -24.46 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.6 -46.64 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.12 -31.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.544 ' OD2' HD21 ' A' ' 21' ' ' LEU . 38.9 t0 -74.11 111.71 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -95.13 -17.08 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.91 1.73 34.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.08 32.36 9.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -102.7 170.1 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -84.42 42.17 3.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 55.3 m-85 -161.2 145.25 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.792 HG22 ' OE1' ' A' ' 58' ' ' GLU . 25.6 pt -137.04 141.55 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.34 176.51 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -50.86 -44.59 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -39.49 94.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.792 ' OE1' HG22 ' A' ' 54' ' ' ILE . 34.5 mt-10 -68.31 -56.34 8.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -57.57 -37.98 74.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.68 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -47.72 -27.85 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -65.97 -45.71 80.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.01 -44.56 47.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -23.52 49.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.11 -19.11 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.45 54.74 16.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.646 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.74 -27.94 25.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.5 9.97 22.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.0 mm? -101.34 -60.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mmt -59.99 -20.88 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -50.57 -47.49 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -84.77 -28.16 26.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 69' ' ' LEU . 43.3 t -66.62 -60.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.12 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -29.73 70.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.77 -15.28 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.622 ' O ' HD12 ' A' ' 7' ' ' ILE . 9.0 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.71 -27.28 27.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.24 -49.05 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -51.65 -59.02 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -54.95 -46.83 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.454 ' O ' HG21 ' A' ' 19' ' ' ILE . 45.9 t80 -52.36 -38.51 58.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -83.3 -19.74 35.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -53.74 -48.0 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' CE2' HD23 ' A' ' 24' ' ' LEU . 12.5 m-30 -83.09 -36.05 25.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.738 0.304 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG21 ' O ' ' A' ' 8' ' ' PHE . 32.7 pt -135.47 138.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -56.5 123.32 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -87.47 -16.32 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.641 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.9 m -81.57 -44.09 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.37 -26.22 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.32 -61.77 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.86 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.33 -35.47 60.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -80.1 -20.19 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.24 -32.28 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD12 HG11 ' A' ' 39' ' ' VAL . 9.4 mt -51.45 -25.0 5.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -59.23 -33.51 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -78.14 -26.29 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.36 -4.91 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.1 8.99 66.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 130.72 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -101.13 22.84 11.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.4 m -130.4 19.88 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.15 -26.2 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.45 -30.78 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -82.77 -30.47 28.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.574 HG11 HD12 ' A' ' 28' ' ' LEU . 12.2 p -72.58 -33.94 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -56.8 -41.57 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -79.95 -20.8 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.2 mmt -78.21 -50.72 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -24.18 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.68 -21.2 64.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.69 -46.49 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG22 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -68.25 -30.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 21' ' ' LEU . 40.2 t0 -75.79 110.94 10.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -95.28 -16.83 22.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.87 1.69 37.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 32.25 9.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.547 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -103.46 169.03 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.51 47.81 3.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -166.1 146.41 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.793 HG22 ' OE1' ' A' ' 58' ' ' GLU . 20.5 pt -138.34 137.26 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.29 -169.81 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.95 -40.8 97.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -37.35 85.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.793 ' OE1' HG22 ' A' ' 54' ' ' ILE . 39.9 mt-10 -71.1 -55.86 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -56.62 -37.09 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mm -67.04 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.405 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.7 m -48.29 -27.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.1 t80 -67.67 -44.04 78.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.0 t -76.09 -44.46 38.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.72 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.06 -18.51 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.7 m-80 47.91 55.08 16.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.78 -27.71 26.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.52 8.49 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.628 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.1 mm? -101.78 -58.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -61.47 -18.99 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -50.5 -48.84 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.03 -33.78 24.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.7 t -58.54 -53.99 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.52 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -71.15 -29.85 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.52 HG13 ' HG2' ' A' ' 75' ' ' LYS . 11.5 m -104.66 21.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.631 ' O ' HD12 ' A' ' 7' ' ' ILE . 17.1 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.807 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.7 mmm -56.0 -25.55 44.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.28 -42.55 93.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -59.54 -60.84 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -52.47 -48.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -52.01 -41.92 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -80.37 -19.86 45.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -53.6 -54.71 33.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.684 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.7 m-30 -75.58 -23.16 56.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.311 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.41 HG13 HG12 ' A' ' 54' ' ' ILE . 19.1 pt -130.23 136.62 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -53.29 119.03 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.89 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.92 -15.83 37.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.669 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 m -81.52 -42.14 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.92 -25.18 61.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.26 -61.77 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.867 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.95 -34.35 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.8 -19.89 43.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.12 -34.19 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -51.19 -52.15 47.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -48.89 -37.69 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.577 HG22 HD22 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -64.54 -39.68 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD22 HG22 ' A' ' 30' ' ' THR . 3.2 mm? -69.86 -5.15 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.45 -8.38 34.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 137.92 42.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.837 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -110.51 26.8 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.8 p -137.04 18.9 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -55.46 -24.54 31.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -82.26 -31.78 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.64 -31.57 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 36' ' ' ALA . 11.7 p -71.72 -33.11 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -59.91 -40.15 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -81.09 -20.51 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mmt -80.03 -48.49 13.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -22.61 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.86 66.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.03 -45.18 35.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 62' ' ' PHE . 38.5 pt -70.95 -32.95 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 40.6 t0 -79.9 109.44 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -97.0 -16.68 20.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.33 3.0 45.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.04 33.0 6.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.86 167.73 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -86.16 52.41 4.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -166.25 150.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.89 ' CG2' HD23 ' A' ' 21' ' ' LEU . 38.8 pt -145.76 140.76 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.01 -169.65 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.1 -41.3 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -40.08 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' HG22 ' A' ' 54' ' ' ILE . 22.6 mt-10 -67.45 -56.35 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.14 -39.78 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mm -65.25 -46.6 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' HG22 ' A' ' 46' ' ' ILE . 16.2 t -48.92 -26.8 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.438 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.3 t80 -69.57 -43.83 72.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.75 -43.69 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -24.19 53.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.78 45.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 32.1 m-80 48.83 54.83 16.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -26.26 27.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.87 10.94 27.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.647 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.8 mm? -101.66 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -58.8 -23.6 60.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -48.7 -45.33 39.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.01 -27.98 26.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.0 -62.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.09 -25.11 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -62.05 -30.92 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.581 HG13 ' HG2' ' A' ' 75' ' ' LYS . 17.4 m -106.64 23.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.1 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.9 mmm -57.13 -23.98 50.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.94 -48.98 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -51.11 -59.41 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.5 mp -53.99 -47.85 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.66 -38.98 64.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -79.85 -19.75 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -50.94 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CE2' HD23 ' A' ' 24' ' ' LEU . 7.4 m-85 -83.12 -1.99 54.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 pt -134.66 138.31 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -55.55 122.47 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.91 -16.39 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.637 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.2 m -81.35 -45.51 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.31 -26.52 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.63 -61.63 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.865 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -79.46 -20.29 47.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -31.72 20.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.65 -25.05 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -59.39 -33.51 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -75.6 -26.88 58.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 30' ' ' THR . 3.1 mm? -77.88 -3.67 42.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.09 9.8 69.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 131.32 44.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.947 0.403 . . . . 0.0 110.86 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 23.63 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.6 m -132.33 18.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.97 -25.15 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.62 -32.79 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -81.13 -31.2 34.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG11 HD12 ' A' ' 28' ' ' LEU . 11.7 p -71.49 -33.97 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -57.59 -40.18 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -82.32 -20.53 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.7 mmt -78.42 -48.99 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -24.09 31.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -21.42 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.44 -46.53 54.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -68.56 -30.63 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.498 ' OD2' HD21 ' A' ' 21' ' ' LEU . 41.4 t0 -76.25 110.4 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.3 t -95.36 -17.12 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.66 1.87 41.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.93 32.7 9.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.32 169.05 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.344 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.91 48.83 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -166.17 146.13 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.785 HG22 ' OE1' ' A' ' 58' ' ' GLU . 16.0 pt -138.92 136.21 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -169.56 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.77 -41.54 97.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -37.15 85.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.785 ' OE1' HG22 ' A' ' 54' ' ' ILE . 36.7 mt-10 -70.33 -56.67 6.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.45 -37.12 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.03 -47.49 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -48.77 -27.71 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.3 t80 -66.78 -42.61 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.73 -44.44 33.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -23.02 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.38 -18.63 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.5 m-80 48.2 55.0 16.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.587 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.77 -29.09 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.09 9.14 20.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -101.85 -58.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mmt -64.12 -19.76 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mmpm? -50.74 -47.65 59.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -84.32 -33.85 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 69' ' ' LEU . 48.6 t -58.8 -54.4 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.51 63.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -71.24 -31.91 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.5 HG13 ' HG2' ' A' ' 75' ' ' LYS . 18.9 m -95.48 13.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.7 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.4 mmm -54.71 -26.17 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.8 -45.98 90.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -56.3 -60.88 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -51.47 -47.47 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -52.79 -41.55 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -79.69 -20.09 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -53.99 -53.07 58.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CE2' HD23 ' A' ' 24' ' ' LEU . 10.4 m-85 -78.74 -5.34 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.0 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.747 0.308 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -131.09 138.09 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -60.01 124.38 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.91 -14.64 41.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.642 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.6 p -81.35 -46.42 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -67.34 -26.97 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.3 -62.24 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.869 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.3 t -53.51 -36.81 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.9 -20.01 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.25 -33.06 19.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD12 HG11 ' A' ' 39' ' ' VAL . 10.0 mt -52.26 -24.88 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -32.33 72.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.2 t -79.1 -25.57 43.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.38 -4.37 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 4.99 65.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 129.74 40.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -101.23 25.61 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -132.56 19.93 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.24 -25.8 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.53 -31.11 29.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.63 -30.08 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.554 HG11 HD12 ' A' ' 28' ' ' LEU . 11.9 p -72.99 -33.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -57.1 -43.28 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.86 -20.73 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.73 -51.43 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -24.18 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.49 -20.67 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.65 -45.4 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.412 HG22 ' CB ' ' A' ' 61' ' ' SER . 24.9 pt -68.13 -34.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.639 ' OD2' HD21 ' A' ' 21' ' ' LEU . 34.8 t0 -67.49 102.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -87.49 -16.44 34.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.54 0.82 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.91 34.6 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -103.01 170.34 8.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 40.93 2.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -163.7 150.67 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.775 ' CG2' HD23 ' A' ' 21' ' ' LEU . 12.9 pt -141.53 136.15 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -174.31 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.24 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -40.35 94.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 42.1 mt-10 -70.34 -53.42 16.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.32 -35.44 75.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.74 -46.46 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.5 m -47.03 -28.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.401 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -63.8 -45.69 88.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.94 -44.84 46.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -24.31 53.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.86 -19.39 41.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 29.8 m-80 47.97 55.43 16.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.81 -25.34 28.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.0 10.0 27.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.03 -59.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.401 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.7 mmt -60.84 -22.23 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -50.5 -45.81 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.02 -25.81 27.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.5 t -70.79 -63.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.89 -27.21 12.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -31.71 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 m -108.52 24.05 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.601 ' O ' HD12 ' A' ' 7' ' ' ILE . 75.4 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.8 -23.87 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.7 -42.22 86.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -58.75 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -56.89 -48.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.23 -38.79 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -82.77 -19.82 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -54.38 -52.12 62.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.4 m-30 -80.26 -3.2 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.7 0.286 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 pt -133.73 137.67 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -57.63 122.44 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.28 -16.82 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.647 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.1 p -81.76 -43.85 17.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.94 -26.19 64.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.9 -62.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.38 -35.84 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.26 -20.36 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -32.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 39' ' ' VAL . 9.3 mt -51.74 -24.7 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.01 -33.61 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -79.2 -25.98 42.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.76 -5.14 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.13 10.91 61.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.45 130.42 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 110.848 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -101.17 23.39 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -131.05 19.99 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.38 -25.99 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.03 -30.13 28.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 69' ' ' LEU . 56.7 tt0 -83.87 -28.1 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -75.01 -34.04 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -57.17 -40.6 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.86 -20.75 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mmt -79.76 -51.05 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -24.68 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.28 -20.88 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -72.41 -47.25 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -67.05 -30.93 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.541 ' OD2' HD21 ' A' ' 21' ' ' LEU . 40.2 t0 -74.55 111.14 9.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -95.22 -16.76 22.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.29 1.63 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.26 32.81 10.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -104.06 169.55 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.46 47.66 3.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -165.89 147.04 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 ' OE1' ' A' ' 58' ' ' GLU . 31.7 pt -138.45 141.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.97 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -48.6 -42.13 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -39.46 93.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.759 ' OE1' HG22 ' A' ' 54' ' ' ILE . 35.9 mt-10 -69.59 -56.29 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -55.61 -39.05 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.5 -47.38 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -48.05 -27.33 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.9 OUTLIER -66.68 -45.69 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.9 t -74.37 -44.36 52.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -57.2 -26.62 60.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.65 56.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.455 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 49.59 53.58 14.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.674 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -32.06 19.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.345 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.57 11.56 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -101.89 -59.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.7 mmt -61.1 -19.28 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.84 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.75 -28.63 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -66.01 -59.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.2 -21.45 33.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -65.78 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.6 m -103.74 24.53 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.695 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.2 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.819 0.342 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 9.5 mmt -46.23 -44.78 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -45.83 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -55.11 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -56.75 -49.2 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -52.53 -40.82 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -79.48 -20.01 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -59.39 4.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 9.6 m-85 -73.06 -23.05 60.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.79 0.329 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.3 pt -133.76 138.33 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.9 122.76 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.18 -16.23 38.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.651 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.5 p -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.15 -25.64 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.31 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.842 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -53.95 -34.62 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.24 -20.22 45.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.45 -33.83 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.31 -25.44 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -57.55 -33.86 68.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -81.2 -26.31 36.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.478 HD12 HG11 ' A' ' 76' ' ' VAL . 3.1 mm? -73.27 -7.81 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.38 0.77 62.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.66 131.26 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -101.62 20.76 15.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.3 m -128.66 19.75 6.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.95 -25.97 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.62 -31.21 28.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.64 -30.05 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.451 HG11 HD12 ' A' ' 28' ' ' LEU . 11.9 p -73.1 -33.37 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 12.5 tt0 -57.82 -38.75 76.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.46 -20.48 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -79.63 -48.14 14.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -54.81 -25.04 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.93 -47.97 48.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.7 pt -67.02 -31.13 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.494 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.1 t0 -77.22 110.73 12.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.89 -16.85 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.24 1.25 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.17 33.8 11.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 169.06 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.09 48.71 4.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -165.82 148.0 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.768 HG22 ' OE1' ' A' ' 58' ' ' GLU . 14.0 pt -139.02 136.3 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.77 175.06 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.79 -42.59 47.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -40.28 91.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.768 ' OE1' HG22 ' A' ' 54' ' ' ILE . 35.0 mt-10 -65.99 -57.14 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.61 -39.49 73.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.35 -46.49 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -48.15 -28.29 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.2 t80 -65.48 -44.21 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.8 t -75.38 -44.26 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -23.72 48.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.24 -18.75 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 15.2 m-80 47.76 55.01 16.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.655 0.741 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.74 -28.33 25.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.248 . . . . 0.0 112.307 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.76 8.91 21.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.8 mm? -102.13 -60.48 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -53.06 -29.63 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -46.57 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -85.52 -27.63 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 69' ' ' LEU . 40.3 t -66.65 -60.51 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.95 -20.76 40.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -32.37 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG11 HD12 ' A' ' 31' ' ' LEU . 3.6 t -78.29 -16.92 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.488 ' O ' HD12 ' A' ' 7' ' ' ILE . 17.2 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.9 mmm -52.06 -29.2 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.49 -41.09 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -58.0 -38.47 76.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 7' ' ' ILE . 5.0 mp -78.97 -44.45 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -76.0 -20.98 57.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.6 m-85 -75.45 -8.68 57.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.723 0.297 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.05 138.85 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -59.92 122.51 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.751 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -84.89 -16.49 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.9 m -81.9 -46.41 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.68 -25.16 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.94 -61.74 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -53.68 -35.53 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.18 -20.6 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.25 -32.93 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.47 -24.9 5.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -58.9 -33.01 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -77.45 -26.78 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 30' ' ' THR . 3.2 mm? -76.77 -5.03 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.28 10.11 68.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 133.15 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.967 0.413 . . . . 0.0 110.844 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.14 22.68 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 m -133.67 18.64 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.38 -25.82 17.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.67 -30.75 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -82.94 -30.02 28.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -72.99 -33.1 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 11.2 tt0 -57.99 -38.82 76.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -83.33 -20.49 34.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.2 mmt -79.78 -47.99 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.468 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.16 -25.41 32.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.46 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -72.04 -46.53 56.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 pt -67.43 -33.32 61.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.617 ' OD2' HD21 ' A' ' 21' ' ' LEU . 34.9 t0 -70.22 106.93 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 t -90.73 -17.57 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.22 1.33 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.97 34.3 11.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -102.0 170.22 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.3 40.51 2.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.52 150.5 12.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.751 ' CG2' HD23 ' A' ' 21' ' ' LEU . 14.2 pt -141.18 136.28 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.93 174.92 8.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -40.96 63.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -40.86 96.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 38.4 mt-10 -70.78 -53.26 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.46 -37.45 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.27 -45.57 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -48.22 -26.94 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -66.51 -45.16 80.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.35 -44.61 44.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.19 -23.87 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.26 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.429 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 8.2 m-80 48.16 55.52 17.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 -24.6 29.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.92 10.57 28.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.73 -59.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.909 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.405 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -60.85 -26.09 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -49.34 -43.17 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.37 -25.06 27.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 69' ' ' LEU . 41.2 t -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.42 -26.53 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.576 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.6 -32.31 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.576 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.3 m -105.58 23.99 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.665 ' O ' HD12 ' A' ' 7' ' ' ILE . 74.9 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.8 mmm -51.23 -30.04 16.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.56 -43.3 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -56.99 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -52.82 -47.79 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 19' ' ' ILE . 70.9 t80 -52.61 -37.92 59.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -83.14 -19.69 36.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -54.37 -50.05 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.6 m-30 -82.16 -17.75 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mttt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 20.7 pt -135.19 137.53 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.16 120.35 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.851 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.61 -15.41 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.68 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.5 m -81.51 -42.37 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.65 -25.54 62.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.34 -62.07 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.856 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.47 -34.34 57.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.31 -19.92 41.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.7 -34.22 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.34 -24.76 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -58.81 -33.54 70.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -79.56 -26.6 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.06 -5.63 45.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.57 6.53 67.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 131.84 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.409 . . . . 0.0 110.838 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.57 26.4 7.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -134.6 18.11 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.87 17.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.44 -31.6 33.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -81.08 -33.59 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.01 -31.67 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -62.81 -39.07 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -82.96 -20.19 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.1 mmt -79.28 -49.06 13.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -24.77 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.8 -20.7 63.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -74.3 -48.29 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' A' ' 61' ' ' SER . 40.2 pt -69.35 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' CG ' HD21 ' A' ' 21' ' ' LEU . 12.9 t70 -82.66 106.91 14.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -98.94 -18.97 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.22 3.69 54.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.1 31.01 7.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -105.63 167.83 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -88.13 51.04 3.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.28 148.97 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.851 ' CG2' HD23 ' A' ' 21' ' ' LEU . 42.5 pt -140.29 138.54 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.27 175.83 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -49.07 -42.03 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -39.39 86.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -68.06 -55.22 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.95 -38.42 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -65.42 -47.3 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.454 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.5 m -49.09 -27.0 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.415 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.2 t80 -69.49 -43.62 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.84 -43.9 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -23.9 51.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.11 -18.96 44.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.6 m-80 48.98 54.42 16.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.4 Cg_endo -69.72 -28.08 25.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.386 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.85 10.79 24.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.5 mm? -101.42 -59.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -59.39 -22.85 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -49.47 -45.97 47.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -84.91 -27.75 26.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.69 -26.0 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.5 -16.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.649 ' O ' HD12 ' A' ' 7' ' ' ILE . 20.3 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 38.1 mmm -55.94 -24.92 40.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.48 -38.84 85.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -63.49 -61.37 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.5 mp -53.21 -48.02 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 19' ' ' ILE . 82.1 t80 -52.47 -38.34 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -83.39 -19.67 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -52.17 61.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 13.8 m-30 -78.49 -5.5 52.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 20.8 pt -132.8 142.02 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.5 t -61.92 123.35 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.857 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -89.53 -15.81 32.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.677 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.1 m -81.31 -42.15 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.29 -25.14 61.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.882 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.8 -62.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.882 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.56 -34.18 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -81.25 -20.03 41.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.74 -34.09 18.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.42 -24.8 5.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.59 -33.2 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -81.33 -26.23 35.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD12 HG11 ' A' ' 76' ' ' VAL . 3.5 mm? -74.1 -7.19 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.34 8.06 61.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.29 131.75 43.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.7 26.44 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 m -134.05 18.57 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.59 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 -31.46 32.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -81.2 -33.2 33.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.57 -32.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -60.5 -40.47 91.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -81.48 -19.64 41.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mmt -80.86 -47.24 14.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -23.59 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.68 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.2 -46.29 51.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.3 pt -71.96 -32.38 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' CG ' HD21 ' A' ' 21' ' ' LEU . 15.9 t70 -80.57 105.75 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.6 t -97.61 -20.38 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.62 3.3 53.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.24 29.22 9.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -106.33 167.49 9.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -87.06 48.12 3.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 88.0 m-85 -158.82 145.69 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.857 ' CG2' HD23 ' A' ' 21' ' ' LEU . 42.5 pt -136.39 138.85 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.46 174.63 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -48.76 -39.48 25.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -38.7 78.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.73 -55.32 10.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.07 -37.83 69.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mm -66.72 -46.14 86.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 46' ' ' ILE . 18.1 t -49.38 -27.51 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.443 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.5 t80 -69.86 -41.69 74.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.86 -43.68 35.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -22.43 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.7 -17.83 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.0 m-80 48.49 54.11 15.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.59 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.79 -29.07 24.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.0 6.13 22.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.9 mm? -101.7 -56.93 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HA ' ' HB ' ' A' ' 73' ' ' VAL . 7.9 mmt -59.78 -18.09 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.42 -51.23 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.3 p30 -83.55 -29.67 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 69' ' ' LEU . 41.9 t -63.96 -50.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -16.66 52.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -26.58 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 31' ' ' LEU . 2.4 t -89.25 11.86 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.691 ' O ' HD12 ' A' ' 7' ' ' ILE . 24.0 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.8 mmt -50.23 -31.95 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -65.37 -39.09 91.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -63.08 -61.07 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -54.24 -49.12 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.454 ' O ' HG21 ' A' ' 19' ' ' ILE . 76.5 t80 -52.27 -39.31 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -82.13 -19.72 39.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -53.86 -54.75 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.661 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 13.5 m-30 -75.0 -24.95 58.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.712 0.292 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG21 ' O ' ' A' ' 8' ' ' PHE . 36.3 pt -134.13 142.41 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.1 t -65.29 127.33 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.776 HD23 HG23 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -90.74 -15.73 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.661 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 m -79.16 -43.54 23.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.77 -25.23 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.61 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.874 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -53.56 -33.08 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.61 -20.01 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.67 -32.49 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.431 HD12 HG11 ' A' ' 39' ' ' VAL . 9.2 mt -51.46 -24.96 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.13 -33.97 72.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.2 t -79.99 -25.75 40.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.48 -5.67 46.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 4.68 63.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.38 129.78 39.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.406 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.17 26.46 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -130.49 19.99 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.87 -26.95 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.27 -31.33 30.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -81.52 -31.19 32.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.431 HG11 HD12 ' A' ' 28' ' ' LEU . 12.3 p -71.63 -33.34 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -60.1 -40.09 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -80.73 -19.93 43.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -79.89 -48.22 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -23.09 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.62 -20.64 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.62 -48.85 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.8 pt -69.94 -30.55 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.1 t70 -89.02 109.43 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.2 5.89 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.39 30.41 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.13 171.75 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -94.67 45.12 2.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.526 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 97.9 m-85 -159.75 145.68 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.776 HG23 HD23 ' A' ' 21' ' ' LEU . 19.8 pt -137.92 140.39 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.63 -179.26 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.79 -45.33 63.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -41.51 96.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.714 ' OE1' HG22 ' A' ' 54' ' ' ILE . 21.4 mt-10 -64.82 -57.71 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.0 -39.53 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -64.44 -46.03 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.476 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.2 m -50.19 -26.84 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 2.2 t80 -69.78 -40.18 76.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.46 -43.92 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.24 -20.7 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.83 -17.58 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.8 m-80 48.9 55.32 17.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.594 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -28.96 24.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.68 6.34 23.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.0 mm? -101.54 -58.47 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HA ' ' HB ' ' A' ' 73' ' ' VAL . 7.5 mmt -63.31 -18.71 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -50.2 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -83.7 -30.56 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.4 t -60.6 -51.8 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.29 -16.77 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.587 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -75.38 -27.96 59.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.587 HG13 ' HG2' ' A' ' 75' ' ' LYS . 17.8 m -107.17 18.35 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.714 ' O ' HD12 ' A' ' 7' ' ' ILE . 48.7 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.553 ' HG2' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -47.11 -35.53 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -63.37 -45.64 90.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -55.08 -48.64 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -53.01 -39.11 62.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.39 -19.94 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -55.05 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 19' ' ' ILE . 9.3 m-85 -73.98 -21.22 60.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.8 mttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.333 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.469 HD12 ' HD2' ' A' ' 11' ' ' PHE . 31.2 pt -133.04 137.24 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.9 t -56.57 123.76 15.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.97 -15.3 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.9 m -79.45 -46.38 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -66.75 -25.7 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.87 -61.91 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.852 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -54.23 -35.53 62.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.27 -20.25 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.03 -36.57 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 39' ' ' VAL . 10.3 mt -50.84 -51.09 54.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -53.27 -41.89 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -24.93 66.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.14 -13.11 48.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.26 -5.46 28.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.68 133.76 56.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.878 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -100.31 29.76 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 m -135.44 25.63 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.72 -25.32 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.33 -39.79 20.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.71 -33.51 58.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 28' ' ' LEU . 7.6 p -68.69 -32.33 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 18.1 tt0 -62.43 -39.46 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.05 -20.21 35.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -82.21 -45.8 14.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.12 -24.99 28.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.36 -45.86 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.428 HG22 ' CB ' ' A' ' 61' ' ' SER . 37.5 pt -70.08 -30.13 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.6 t0 -79.73 110.0 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.95 -17.06 21.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.35 1.38 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.43 34.87 9.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.56 169.15 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.32 48.61 4.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 18.5 m-85 -165.96 148.02 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.789 HG22 ' OE1' ' A' ' 58' ' ' GLU . 12.6 pt -138.83 135.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.8 173.87 8.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.63 -39.85 37.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.17 85.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.789 ' OE1' HG22 ' A' ' 54' ' ' ILE . 38.2 mt-10 -68.29 -57.17 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.41 -38.8 69.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.553 HD13 ' HG2' ' A' ' 4' ' ' MET . 6.7 mm -65.83 -45.2 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 46' ' ' ILE . 4.0 m -49.82 -27.43 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.33 -40.06 77.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.93 -44.49 22.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -23.03 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.76 -17.86 49.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.4 m-80 49.18 55.36 17.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.74 -30.65 22.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.729 2.286 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.3 4.88 23.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -100.78 -57.66 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.356 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.7 mmt -60.33 -19.53 55.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -58.24 -48.15 81.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.09 -25.04 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 69' ' ' LEU . 44.7 t -69.81 -51.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.03 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -70.57 -26.93 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.6 m -105.68 27.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.688 ' O ' HD12 ' A' ' 7' ' ' ILE . 7.6 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.5 mmt -47.01 -43.83 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -50.62 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -51.07 -60.72 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -54.94 -47.77 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -52.61 -45.23 66.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -77.36 -20.24 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.82 -50.65 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.733 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.2 m-85 -82.01 -8.63 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.4 HG13 HG13 ' A' ' 54' ' ' ILE . 27.9 pt -132.69 137.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 120.86 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD23 HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -82.51 -16.7 47.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.674 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.9 p -81.54 -45.66 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.52 -24.91 65.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.91 -61.83 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -54.1 -35.05 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.68 -20.14 47.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.534 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.57 -34.11 18.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD12 HG11 ' A' ' 39' ' ' VAL . 9.5 mt -51.58 -25.02 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -58.04 -33.56 69.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.5 t -78.21 -26.66 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.93 -5.33 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.07 5.56 73.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 133.02 53.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -102.29 23.48 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.0 p -134.33 18.68 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.18 -25.48 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.046 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.91 -31.99 27.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.88 -30.03 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 28' ' ' LEU . 11.6 p -72.66 -33.57 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.459 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 11.3 tt0 -57.81 -38.65 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.86 -20.87 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.1 mmt -79.12 -47.55 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.459 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -54.79 -25.89 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.51 -21.06 65.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.27 -47.46 49.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 62' ' ' PHE . 20.3 pt -67.02 -34.65 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.548 ' OD2' HD21 ' A' ' 21' ' ' LEU . 39.7 t0 -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -94.74 -14.96 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.29 0.35 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 35.46 14.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.73 169.41 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.43 42.73 3.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -163.92 150.33 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.715 HG23 HD23 ' A' ' 21' ' ' LEU . 3.3 pt -142.46 131.24 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -179.29 7.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.44 -45.24 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -42.54 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 36.1 mt-10 -67.64 -55.42 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.541 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.4 t80 -58.34 -36.96 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.24 -46.02 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -47.76 -27.36 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.1 t80 -64.84 -45.38 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -74.68 -44.36 50.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -25.1 57.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.62 -19.32 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 10.2 m-80 48.34 55.14 16.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.645 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -24.95 29.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.2 10.54 27.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.6 mm? -101.47 -59.75 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -60.15 -22.68 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -49.79 -46.06 50.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.86 -27.49 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.7 t -68.45 -62.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.72 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -30.44 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.3 -16.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.686 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.793 0.33 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.0 mmt -48.27 -41.6 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.51 -40.2 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 -62.03 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -56.71 -47.26 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -51.66 -41.14 61.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -81.05 -20.17 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -53.46 -42.99 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.623 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.6 m-30 -90.36 -28.28 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -132.94 137.92 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -55.31 122.51 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.25 -16.53 37.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.0 p -82.22 -43.63 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.67 -25.24 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.96 -62.31 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.855 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.96 -35.36 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -79.41 -19.85 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 30' ' ' THR . . . -88.01 -35.15 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.16 -25.05 8.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -62.82 -34.37 77.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.571 HG23 HD22 ' A' ' 31' ' ' LEU . 1.2 t -69.27 -26.73 64.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD22 HG23 ' A' ' 30' ' ' THR . 3.2 mm? -84.59 1.9 43.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.35 9.53 72.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 p -51.56 139.73 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -109.93 10.67 24.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -132.16 17.32 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.14 -26.11 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.25 -31.76 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -81.82 -31.48 31.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 36' ' ' ALA . 11.8 p -71.12 -32.59 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 12.2 tt0 -58.73 -38.84 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -84.14 -20.67 32.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.1 mmt -79.59 -47.0 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.446 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.38 -25.2 34.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -21.19 65.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.75 -47.96 50.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 pt -67.44 -30.44 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.499 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.7 t0 -77.24 110.9 12.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -95.71 -17.19 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.16 2.08 42.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.25 33.63 7.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 168.73 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.47 49.03 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.2 m-85 -166.25 148.33 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.765 HG22 ' OE1' ' A' ' 58' ' ' GLU . 15.0 pt -138.58 136.49 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.95 174.77 8.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.26 -40.74 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.18 85.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.765 ' OE1' HG22 ' A' ' 54' ' ' ILE . 38.3 mt-10 -67.69 -56.96 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -55.41 -39.58 70.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.93 -46.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -48.27 -27.35 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -66.76 -44.01 82.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.3 t -74.84 -43.73 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -25.93 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.48 -18.4 54.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 7.2 m-80 49.71 53.2 13.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.607 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 54.1 Cg_endo -69.74 -32.96 17.64 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.763 2.309 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.46 10.82 14.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.607 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -102.79 -58.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.6 -16.69 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -49.18 69.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.82 -30.08 26.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -62.24 -50.28 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.93 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -70.71 -27.8 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 75' ' ' LYS . 14.9 m -102.39 25.81 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 7' ' ' ILE . 6.9 p-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.401 ' SD ' HD13 ' A' ' 60' ' ' ILE . 8.4 mmt -46.43 -41.79 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -51.33 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -49.79 -61.73 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -56.72 -47.28 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -52.67 -40.92 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -79.63 -20.09 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -51.41 64.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.669 ' CE2' HD23 ' A' ' 24' ' ' LEU . 8.8 m-85 -82.97 -6.15 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.712 0.291 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 pt -138.29 137.5 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.21 122.22 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.92 -16.12 39.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.649 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.8 m -81.82 -44.34 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -68.88 -25.87 64.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.862 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.29 -61.75 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.862 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.68 -36.11 61.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -78.76 -20.47 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.29 -33.94 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 HG11 ' A' ' 39' ' ' VAL . 9.1 mt -51.93 -24.69 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -33.07 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -81.0 -26.27 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.12 -7.2 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.73 6.34 63.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.97 131.89 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.85 22.41 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -131.37 19.71 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.15 -26.44 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -30.8 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.67 -31.02 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.475 HG11 HD12 ' A' ' 28' ' ' LEU . 11.8 p -72.03 -32.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 13.2 tt0 -59.07 -38.6 79.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -83.83 -20.81 32.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -79.69 -47.44 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.1 -24.89 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.39 -21.5 65.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.89 -47.51 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.1 pt -67.99 -29.69 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.483 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.6 t0 -79.71 111.43 16.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -96.23 -17.66 20.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.72 1.58 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 32.81 9.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.96 168.7 8.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.18 49.69 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -165.81 147.02 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 58' ' ' GLU . 14.3 pt -138.15 135.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.27 174.24 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -49.79 -40.29 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.64 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.776 ' OE1' HG22 ' A' ' 54' ' ' ILE . 33.5 mt-10 -68.22 -57.02 6.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -55.27 -38.95 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.401 HD13 ' SD ' ' A' ' 4' ' ' MET . 6.6 mm -66.25 -46.31 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -48.66 -27.14 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -67.01 -42.96 84.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.0 t -75.9 -44.03 42.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -23.58 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.68 -18.76 43.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.81 54.29 15.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.58 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.1 Cg_endo -69.83 -29.34 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.22 8.98 20.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.413 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -102.06 -58.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mmt -60.58 -23.35 64.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -50.93 -46.26 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.51 -31.4 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 69' ' ' LEU . 59.1 t -62.79 -59.0 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.17 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.519 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.74 -30.07 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 75' ' ' LYS . 11.5 m -104.59 22.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.611 ' O ' HD12 ' A' ' 7' ' ' ILE . 72.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.823 0.344 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.9 mmm -53.85 -27.33 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.78 -42.93 90.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -56.07 -50.42 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.8 mp -64.56 -48.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -52.19 -40.05 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -81.75 -19.86 40.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' NH2' HD21 ' A' ' 31' ' ' LEU . 26.7 ttt180 -53.74 -53.55 50.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' HD2' HD12 ' A' ' 19' ' ' ILE . 13.6 m-85 -74.35 -27.45 60.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.593 HD12 ' HD2' ' A' ' 11' ' ' PHE . 37.0 pt -129.47 138.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -59.19 124.93 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -86.12 -14.96 42.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.9 m -80.94 -46.9 14.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -66.93 -24.99 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.7 -62.09 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.874 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.84 -36.18 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.93 -20.28 49.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.529 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.32 -34.69 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.498 HD12 HG11 ' A' ' 39' ' ' VAL . 9.8 mt -52.13 -24.63 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -32.1 69.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -79.76 -26.56 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.416 HD21 ' NH2' ' A' ' 10' ' ' ARG . 3.4 mm? -76.04 -5.22 45.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.04 10.81 68.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 133.22 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.47 21.63 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 p -131.74 18.31 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.44 12.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.63 -32.81 31.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -80.47 -33.28 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG11 HD12 ' A' ' 28' ' ' LEU . 11.4 p -69.07 -30.93 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.428 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 14.1 tt0 -62.99 -38.75 92.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -84.11 -20.12 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -82.79 -45.26 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.428 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.23 -25.57 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.0 -21.58 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.34 -45.62 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.424 HG22 ' CB ' ' A' ' 61' ' ' SER . 22.4 pt -68.72 -34.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.593 ' OD2' HD21 ' A' ' 21' ' ' LEU . 36.1 t0 -70.99 108.02 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -92.31 -17.13 25.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.05 1.9 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.14 34.34 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.17 169.76 8.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.37 42.09 2.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -163.62 150.32 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.718 ' CG2' HD23 ' A' ' 21' ' ' LEU . 11.2 pt -140.97 135.0 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -174.22 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.51 -44.89 95.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 40.6 mt-10 -70.32 -53.2 17.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.402 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.2 t80 -59.85 -34.62 73.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.78 -43.98 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.2 m -49.43 -27.09 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' A' ' 46' ' ' ILE . 2.0 t80 -67.56 -40.89 84.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.0 t -78.56 -44.75 23.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -21.95 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.56 -18.01 46.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 24.5 m-80 49.73 54.98 16.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.643 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -30.24 22.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.73 4.3 23.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -101.14 -57.54 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.2 mmt -58.55 -26.89 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.94 -45.85 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.28 -27.1 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 69' ' ' LEU . 61.7 t -69.25 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.91 -27.5 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -29.64 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.79 -16.01 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 7' ' ' ILE . 52.8 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.78 0.324 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.2 mmm -51.79 -29.37 18.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.57 -60.88 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -51.71 -48.16 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -52.33 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -80.87 -19.97 43.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -55.63 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.2 m-30 -74.43 -23.03 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.1 mttt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.3 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.04 138.19 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.27 120.8 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.769 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -83.27 -16.68 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 21' ' ' LEU . 12.4 m -81.68 -45.63 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -67.91 -26.13 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.32 -61.55 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.852 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.77 -35.86 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.19 -20.13 49.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -33.69 19.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.538 HD12 HG11 ' A' ' 39' ' ' VAL . 9.5 mt -51.64 -24.78 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.96 -33.39 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -80.42 -26.24 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.47 -6.55 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.19 10.74 62.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.68 131.28 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.408 . . . . 0.0 110.821 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -100.58 21.97 12.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 m -130.81 19.92 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.1 -26.18 15.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.48 -30.94 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -82.65 -30.66 29.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.538 HG11 HD12 ' A' ' 28' ' ' LEU . 12.3 p -71.98 -33.35 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -57.64 -42.27 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.87 -20.94 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.0 mmt -79.0 -50.92 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -24.93 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -21.55 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -71.42 -46.01 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 pt -68.14 -33.82 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.623 ' OD2' HD21 ' A' ' 21' ' ' LEU . 36.3 t0 -68.03 103.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -89.21 -15.53 33.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.22 0.16 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.51 34.98 14.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.66 170.04 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.13 41.17 2.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -164.03 150.56 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.769 ' CG2' HD23 ' A' ' 21' ' ' LEU . 11.7 pt -141.17 135.94 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -174.99 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.88 -43.5 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 43.9 mt-10 -71.15 -50.9 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -62.6 -34.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.14 -46.94 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t -47.11 -28.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -64.17 -45.71 87.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.9 t -75.2 -44.51 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.19 43.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.23 -18.72 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.0 m-80 47.38 55.21 16.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.642 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.71 -24.77 29.54 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.53 26.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.69 -60.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -62.89 -23.53 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -50.16 -45.53 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.01 -25.98 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -70.46 -62.65 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.31 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -30.77 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.4 m -109.36 23.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.703 ' O ' HD12 ' A' ' 7' ' ' ILE . 3.7 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.84 0.352 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.542 ' HG2' HD13 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.23 -44.23 88.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -55.01 -60.63 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -57.34 -47.38 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.14 -38.79 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -79.79 -19.85 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -56.09 -57.78 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 9.5 m-85 -74.93 -23.49 58.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.6 pt -133.05 136.49 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.12 123.84 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -86.41 -16.66 36.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.648 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.1 m -77.23 -45.08 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.09 -25.89 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.18 -61.32 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -53.97 -33.78 57.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.9 -19.63 40.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.75 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.21 -52.79 57.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -46.83 -47.57 21.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -54.99 -47.39 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.67 -11.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.1 -7.69 27.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.56 139.72 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 t -110.6 25.44 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.0 m -136.03 17.84 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.91 27.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.7 -31.78 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -79.96 -36.82 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.93 -31.39 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.17 -41.7 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -80.54 -21.16 42.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.09 -49.95 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -23.6 12.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.17 -21.72 64.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -74.5 -48.62 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.407 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.4 pt -69.28 -27.75 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.535 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.8 t70 -93.55 107.34 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -101.12 -15.45 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.72 2.09 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.44 33.32 8.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -103.7 168.69 8.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -89.66 48.79 3.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-85 -166.11 149.07 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.58 HG22 ' OE1' ' A' ' 58' ' ' GLU . 5.1 pt -140.64 133.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.15 173.9 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.21 -39.61 44.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' HG22 ' A' ' 54' ' ' ILE . 31.3 mt-10 -69.13 -55.95 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -56.48 -38.04 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.542 HD13 ' HG2' ' A' ' 4' ' ' MET . 7.4 mm -66.89 -46.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.407 ' CB ' HG22 ' A' ' 46' ' ' ILE . 17.3 t -48.9 -27.03 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -69.05 -43.2 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.4 t -75.86 -44.13 42.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -24.43 54.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.65 -18.7 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 13.8 m-80 48.55 54.94 16.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.75 -27.03 27.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 10.4 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.647 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.28 -60.05 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -59.67 -22.85 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -49.44 -45.96 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.71 -30.72 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.04 -58.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -20.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.537 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.19 -29.43 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.537 HG13 ' HG2' ' A' ' 75' ' ' LYS . 13.2 m -105.88 24.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.329 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -104.74 148.07 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.609 ' O ' HD12 ' A' ' 7' ' ' ILE . 6.2 m-20 -80.4 -43.3 21.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.4 mmm -57.76 -23.3 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.67 -45.09 88.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -57.17 -60.04 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -53.76 -46.57 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -53.13 -39.91 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -80.25 -19.94 45.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -53.68 -50.08 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.5 m-85 -80.51 -26.48 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.79 68.64 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -97.01 9.51 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.76 10.35 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.97 33.65 86.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.51 170.34 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.59 -13.11 63.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -129.75 165.37 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.469 HG13 HG12 ' A' ' 54' ' ' ILE . 21.2 pt -131.13 137.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.5 t -56.08 121.92 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.46 -14.42 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.633 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -81.12 -45.77 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.38 -24.98 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.862 HD13 ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -60.96 -61.79 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.862 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -54.19 -35.43 62.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.94 -19.91 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.48 -34.34 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD12 HG11 ' A' ' 39' ' ' VAL . 9.8 mt -51.84 -24.84 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.27 -33.44 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -80.67 -26.26 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.2 mm? -74.4 -6.45 48.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.31 10.19 64.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.43 131.78 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -101.12 22.25 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -130.31 19.12 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.78 -25.13 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.38 -33.33 28.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -80.55 -32.23 36.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.502 HG11 HD12 ' A' ' 28' ' ' LEU . 11.4 p -70.19 -32.64 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 12.8 tt0 -60.04 -39.05 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -84.0 -20.08 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mmt -80.53 -46.58 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.472 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.73 -24.78 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.33 64.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.85 -46.13 59.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.421 HG22 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -69.28 -30.36 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' OD2' HD21 ' A' ' 21' ' ' LEU . 39.7 t0 -76.47 110.19 10.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.01 -16.62 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.48 0.98 37.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 34.29 11.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.77 169.06 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.47 48.53 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.458 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -165.77 150.03 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.63 ' CG2' HD23 ' A' ' 21' ' ' LEU . 30.8 pt -142.51 141.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.81 -168.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.14 -41.01 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -39.11 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.3 -56.96 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -55.76 -37.98 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 mm -66.46 -46.23 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.421 ' CB ' HG22 ' A' ' 46' ' ' ILE . 4.8 m -49.3 -27.52 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.6 t80 -68.41 -41.6 80.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.2 t -77.8 -44.69 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -22.28 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.35 -18.2 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 48.93 55.06 17.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.0 Cg_endo -69.82 -29.3 23.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.1 5.81 23.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.8 mm? -101.36 -58.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.37 -19.17 63.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -48.21 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -84.26 -26.77 28.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 69' ' ' LEU . 42.4 t -67.78 -57.12 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.8 -21.47 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -65.44 -28.69 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.421 HG13 ' HG2' ' A' ' 75' ' ' LYS . 6.1 m -108.42 21.93 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.81 171.58 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.645 ' O ' HD12 ' A' ' 7' ' ' ILE . 77.0 m-20 -70.68 -54.81 10.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.32 -30.38 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -60.37 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -52.76 -46.39 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' O ' HG21 ' A' ' 19' ' ' ILE . 75.0 t80 -52.84 -38.6 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -81.34 -19.85 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.426 HH22 HD11 ' A' ' 31' ' ' LEU . 17.4 ttt180 -54.66 -49.77 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CE2' HD23 ' A' ' 24' ' ' LEU . 9.6 m-30 -84.48 -17.99 37.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -82.56 57.09 3.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -96.94 9.2 42.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -20.05 18.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.8 15.76 38.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.29 175.71 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.29 13.76 66.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -146.48 170.02 17.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.746 0.308 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.46 HG13 HG12 ' A' ' 54' ' ' ILE . 21.0 pt -133.9 138.46 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -56.98 121.71 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.668 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -85.66 -16.39 39.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.642 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.4 m -81.55 -45.0 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.76 -26.87 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -61.68 -61.74 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.86 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.25 -36.48 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.76 -20.84 48.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.08 -28.88 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.781 HD12 HG11 ' A' ' 39' ' ' VAL . 10.1 mt -51.75 -24.92 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -62.16 -34.9 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.1 t -77.15 -25.67 52.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD11 HH22 ' A' ' 10' ' ' ARG . 3.1 mm? -78.93 -2.7 41.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.71 10.1 67.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.41 127.57 32.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -97.06 18.01 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 m -119.16 30.62 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.4 -27.11 68.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.13 -31.69 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -83.88 -28.15 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.781 HG11 HD12 ' A' ' 28' ' ' LEU . 9.5 p -75.69 -35.15 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -55.89 -41.05 73.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.6 mmt -79.64 -51.06 9.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -24.19 28.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.94 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.78 -46.94 50.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -67.02 -29.97 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OD2' HD21 ' A' ' 21' ' ' LEU . 38.1 t0 -74.51 110.64 8.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -94.65 -15.38 24.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 1.12 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.7 34.71 10.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -105.0 169.73 8.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.19 46.12 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -165.65 149.42 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.668 ' CG2' HD23 ' A' ' 21' ' ' LEU . 33.7 pt -138.84 141.36 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.9 175.18 6.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.58 -41.84 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -39.69 94.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.62 -55.0 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.3 -37.24 69.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.94 -47.52 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.3 t -47.69 -28.04 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.36 -45.43 76.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.3 t -75.1 -44.74 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -24.15 52.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.12 -19.16 40.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.9 m-80 47.71 55.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.621 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.73 -27.39 26.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.396 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 8.7 22.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.9 mm? -101.49 -59.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.02 -24.35 53.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -50.03 -46.12 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -84.63 -28.27 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.3 t -67.19 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.7 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -31.31 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.63 -16.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.767 0.317 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -127.26 137.55 52.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.66 ' O ' HD12 ' A' ' 7' ' ' ILE . 52.3 m-20 -115.94 -31.15 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.0 mmm -52.77 -28.83 24.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.63 -34.66 77.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -66.09 -54.52 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -59.87 -44.08 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -53.01 -38.23 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -82.0 -19.57 40.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -54.43 -44.33 72.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.629 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.4 m-30 -86.16 -35.02 20.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.87 131.77 51.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -76.26 -21.52 56.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -115.74 -20.16 10.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.48 5.89 61.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.49 159.86 44.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.15 -96.97 1.34 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -154.66 170.61 21.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.449 HD12 ' HD2' ' A' ' 11' ' ' PHE . 50.1 pt -140.38 144.26 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.71 125.89 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -89.51 -16.13 31.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.8 m -81.58 -43.98 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.41 -25.56 63.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.06 -62.09 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.87 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.87 -35.02 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.0 -19.29 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' O ' HG22 ' A' ' 30' ' ' THR . . . -88.85 -33.75 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 HG11 ' A' ' 39' ' ' VAL . 9.3 mt -50.82 -40.01 54.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -55.75 -32.58 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -70.29 -24.3 63.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -86.14 -3.58 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.27 -7.76 58.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.34 129.97 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.944 0.402 . . . . 0.0 110.828 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 t -102.03 27.64 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -136.74 18.44 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.56 -25.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.99 -30.53 28.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' A' ' 69' ' ' LEU . 14.5 tt0 -83.23 -28.92 28.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -74.01 -33.67 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -57.74 -41.05 81.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -79.03 -20.88 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmt -79.95 -50.41 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -24.46 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.6 -46.64 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.12 -31.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.544 ' OD2' HD21 ' A' ' 21' ' ' LEU . 38.9 t0 -74.11 111.71 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -95.13 -17.08 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.91 1.73 34.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.08 32.36 9.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -102.7 170.1 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -84.42 42.17 3.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 55.3 m-85 -161.2 145.25 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.792 HG22 ' OE1' ' A' ' 58' ' ' GLU . 25.6 pt -137.04 141.55 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.34 176.51 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -50.86 -44.59 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -39.49 94.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.792 ' OE1' HG22 ' A' ' 54' ' ' ILE . 34.5 mt-10 -68.31 -56.34 8.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -57.57 -37.98 74.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.68 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -47.72 -27.85 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -65.97 -45.71 80.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.01 -44.56 47.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -23.52 49.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.11 -19.11 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.45 54.74 16.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.646 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.74 -27.94 25.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.5 9.97 22.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.0 mm? -101.34 -60.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mmt -59.99 -20.88 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -50.57 -47.49 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -84.77 -28.16 26.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 69' ' ' LEU . 43.3 t -66.62 -60.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.12 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -29.73 70.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.77 -15.28 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -126.97 152.12 47.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.622 ' O ' HD12 ' A' ' 7' ' ' ILE . 9.0 m-20 -99.18 -37.0 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.71 -27.28 27.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.24 -49.05 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -51.65 -59.02 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -54.95 -46.83 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.454 ' O ' HG21 ' A' ' 19' ' ' ILE . 45.9 t80 -52.36 -38.51 58.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -83.3 -19.74 35.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -53.74 -48.0 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' CE2' HD23 ' A' ' 24' ' ' LEU . 12.5 m-30 -83.09 -36.05 25.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.56 130.14 45.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -74.65 -22.48 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 -16.62 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.59 0.77 83.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.98 156.79 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.02 -98.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -154.18 167.35 30.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.738 0.304 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG21 ' O ' ' A' ' 8' ' ' PHE . 32.7 pt -135.47 138.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -56.5 123.32 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -87.47 -16.32 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.641 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.9 m -81.57 -44.09 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.37 -26.22 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.32 -61.77 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.86 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.33 -35.47 60.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -80.1 -20.19 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.24 -32.28 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD12 HG11 ' A' ' 39' ' ' VAL . 9.4 mt -51.45 -25.0 5.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -59.23 -33.51 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -78.14 -26.29 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.36 -4.91 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.1 8.99 66.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 130.72 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -101.13 22.84 11.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.4 m -130.4 19.88 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.15 -26.2 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.45 -30.78 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -82.77 -30.47 28.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG11 HD12 ' A' ' 28' ' ' LEU . 12.2 p -72.58 -33.94 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -56.8 -41.57 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -79.95 -20.8 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.2 mmt -78.21 -50.72 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -24.18 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.68 -21.2 64.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.69 -46.49 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG22 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -68.25 -30.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 21' ' ' LEU . 40.2 t0 -75.79 110.94 10.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -95.28 -16.83 22.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.87 1.69 37.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 32.25 9.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.547 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -103.46 169.03 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.51 47.81 3.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -166.1 146.41 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.793 HG22 ' OE1' ' A' ' 58' ' ' GLU . 20.5 pt -138.34 137.26 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.29 -169.81 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.95 -40.8 97.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -37.35 85.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.793 ' OE1' HG22 ' A' ' 54' ' ' ILE . 39.9 mt-10 -71.1 -55.86 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -56.62 -37.09 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mm -67.04 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.405 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.7 m -48.29 -27.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.1 t80 -67.67 -44.04 78.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.0 t -76.09 -44.46 38.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.72 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.06 -18.51 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.7 m-80 47.91 55.08 16.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.78 -27.71 26.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.52 8.49 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.628 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.1 mm? -101.78 -58.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -61.47 -18.99 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -50.5 -48.84 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.03 -33.78 24.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.7 t -58.54 -53.99 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.52 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -71.15 -29.85 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.52 HG13 ' HG2' ' A' ' 75' ' ' LYS . 11.5 m -104.66 21.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -102.98 137.96 40.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.631 ' O ' HD12 ' A' ' 7' ' ' ILE . 17.1 m-20 -126.12 -43.87 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.7 mmm -56.0 -25.55 44.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.28 -42.55 93.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -59.54 -60.84 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -52.47 -48.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -52.01 -41.92 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -80.37 -19.86 45.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -53.6 -54.71 33.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.684 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.7 m-30 -75.58 -23.16 56.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -79.42 67.01 5.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -96.67 9.52 41.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.54 9.6 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.33 33.68 86.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -97.24 166.92 11.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.345 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.06 -12.75 76.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -132.65 167.99 19.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.311 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.41 HG13 HG12 ' A' ' 54' ' ' ILE . 19.1 pt -130.23 136.62 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -53.29 119.03 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.89 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.92 -15.83 37.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.669 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 m -81.52 -42.14 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.92 -25.18 61.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.26 -61.77 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.867 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.95 -34.35 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.8 -19.89 43.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.12 -34.19 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -51.19 -52.15 47.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -48.89 -37.69 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.577 HG22 HD22 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -64.54 -39.68 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD22 HG22 ' A' ' 30' ' ' THR . 3.2 mm? -69.86 -5.15 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.45 -8.38 34.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 137.92 42.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.837 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -110.51 26.8 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.8 p -137.04 18.9 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -55.46 -24.54 31.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -82.26 -31.78 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.64 -31.57 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 36' ' ' ALA . 11.7 p -71.72 -33.11 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -59.91 -40.15 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -81.09 -20.51 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mmt -80.03 -48.49 13.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -22.61 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.86 66.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.03 -45.18 35.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 62' ' ' PHE . 38.5 pt -70.95 -32.95 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 40.6 t0 -79.9 109.44 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -97.0 -16.68 20.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.33 3.0 45.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.04 33.0 6.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.86 167.73 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -86.16 52.41 4.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -166.25 150.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.89 ' CG2' HD23 ' A' ' 21' ' ' LEU . 38.8 pt -145.76 140.76 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.01 -169.65 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.1 -41.3 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -40.08 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' HG22 ' A' ' 54' ' ' ILE . 22.6 mt-10 -67.45 -56.35 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.14 -39.78 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mm -65.25 -46.6 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' HG22 ' A' ' 46' ' ' ILE . 16.2 t -48.92 -26.8 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.3 t80 -69.57 -43.83 72.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.75 -43.69 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -24.19 53.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.78 45.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 32.1 m-80 48.83 54.83 16.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -26.26 27.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.87 10.94 27.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.647 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.8 mm? -101.66 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -58.8 -23.6 60.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -48.7 -45.33 39.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.01 -27.98 26.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.0 -62.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.09 -25.11 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -62.05 -30.92 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.581 HG13 ' HG2' ' A' ' 75' ' ' LYS . 17.4 m -106.64 23.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.777 0.322 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -73.27 162.89 28.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.1 m-20 -84.36 -32.31 24.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.9 mmm -57.13 -23.98 50.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.94 -48.98 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -51.11 -59.41 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.5 mp -53.99 -47.85 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.66 -38.98 64.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -79.85 -19.75 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -50.94 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CE2' HD23 ' A' ' 24' ' ' LEU . 7.4 m-85 -83.12 -1.99 54.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -77.24 62.79 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 13' ' ' THR . 3.3 m -93.04 9.34 36.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.35 -19.8 10.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.48 76.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -63.83 175.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.76 13.15 68.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.535 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -143.34 166.55 24.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 pt -134.66 138.31 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -55.55 122.47 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.91 -16.39 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.637 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.2 m -81.35 -45.51 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.31 -26.52 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.63 -61.63 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.865 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -79.46 -20.29 47.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -31.72 20.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.65 -25.05 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -59.39 -33.51 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -75.6 -26.88 58.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 30' ' ' THR . 3.1 mm? -77.88 -3.67 42.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.09 9.8 69.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 131.32 44.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.947 0.403 . . . . 0.0 110.86 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 23.63 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.6 m -132.33 18.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.97 -25.15 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.62 -32.79 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -81.13 -31.2 34.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG11 HD12 ' A' ' 28' ' ' LEU . 11.7 p -71.49 -33.97 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -57.59 -40.18 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -82.32 -20.53 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.7 mmt -78.42 -48.99 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -24.09 31.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -21.42 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.44 -46.53 54.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -68.56 -30.63 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.498 ' OD2' HD21 ' A' ' 21' ' ' LEU . 41.4 t0 -76.25 110.4 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.3 t -95.36 -17.12 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.66 1.87 41.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.93 32.7 9.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.32 169.05 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.344 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.91 48.83 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -166.17 146.13 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.785 HG22 ' OE1' ' A' ' 58' ' ' GLU . 16.0 pt -138.92 136.21 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -169.56 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.77 -41.54 97.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -37.15 85.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.785 ' OE1' HG22 ' A' ' 54' ' ' ILE . 36.7 mt-10 -70.33 -56.67 6.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.45 -37.12 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.03 -47.49 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -48.77 -27.71 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.3 t80 -66.78 -42.61 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.73 -44.44 33.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -23.02 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.38 -18.63 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.5 m-80 48.2 55.0 16.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.587 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.77 -29.09 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.09 9.14 20.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -101.85 -58.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mmt -64.12 -19.76 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mmpm? -50.74 -47.65 59.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -84.32 -33.85 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 69' ' ' LEU . 48.6 t -58.8 -54.4 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.51 63.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -71.24 -31.91 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.5 HG13 ' HG2' ' A' ' 75' ' ' LYS . 18.9 m -95.48 13.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.27 164.82 13.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.7 m-20 -113.51 -59.57 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.4 mmm -54.71 -26.17 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.8 -45.98 90.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -56.3 -60.88 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -51.47 -47.47 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -52.79 -41.55 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -79.69 -20.09 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -53.99 -53.07 58.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CE2' HD23 ' A' ' 24' ' ' LEU . 10.4 m-85 -78.74 -5.34 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.14 63.23 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -92.95 9.26 36.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -19.04 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.3 -9.54 72.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.28 175.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.12 20.73 46.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -152.75 165.4 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.747 0.308 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -131.09 138.09 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -60.01 124.38 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.91 -14.64 41.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.642 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.6 p -81.35 -46.42 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -67.34 -26.97 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.3 -62.24 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.869 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.3 t -53.51 -36.81 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.9 -20.01 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.25 -33.06 19.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD12 HG11 ' A' ' 39' ' ' VAL . 10.0 mt -52.26 -24.88 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -32.33 72.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.2 t -79.1 -25.57 43.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.38 -4.37 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 4.99 65.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 129.74 40.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -101.23 25.61 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -132.56 19.93 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.24 -25.8 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.53 -31.11 29.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.63 -30.08 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.554 HG11 HD12 ' A' ' 28' ' ' LEU . 11.9 p -72.99 -33.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -57.1 -43.28 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.86 -20.73 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.73 -51.43 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -24.18 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.49 -20.67 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.65 -45.4 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG22 ' CB ' ' A' ' 61' ' ' SER . 24.9 pt -68.13 -34.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.639 ' OD2' HD21 ' A' ' 21' ' ' LEU . 34.8 t0 -67.49 102.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -87.49 -16.44 34.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.54 0.82 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.91 34.6 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -103.01 170.34 8.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 40.93 2.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -163.7 150.67 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.775 ' CG2' HD23 ' A' ' 21' ' ' LEU . 12.9 pt -141.53 136.15 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -174.31 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.24 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -40.35 94.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 42.1 mt-10 -70.34 -53.42 16.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.32 -35.44 75.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.74 -46.46 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.5 m -47.03 -28.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.401 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -63.8 -45.69 88.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.94 -44.84 46.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -24.31 53.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.86 -19.39 41.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 29.8 m-80 47.97 55.43 16.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.81 -25.34 28.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.0 10.0 27.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.03 -59.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.401 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.7 mmt -60.84 -22.23 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -50.5 -45.81 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.02 -25.81 27.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.5 t -70.79 -63.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.89 -27.21 12.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -31.71 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 m -108.52 24.05 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.72 179.57 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.601 ' O ' HD12 ' A' ' 7' ' ' ILE . 75.4 m-20 -96.5 -54.18 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.8 -23.87 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.7 -42.22 86.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -58.75 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -56.89 -48.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.23 -38.79 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -82.77 -19.82 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -54.38 -52.12 62.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.4 m-30 -80.26 -3.2 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -90.17 46.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -97.3 9.35 42.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -100.66 -19.98 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.27 23.25 9.77 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -117.15 133.44 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.59 -30.01 26.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -99.15 172.37 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.7 0.286 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 pt -133.73 137.67 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -57.63 122.44 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.28 -16.82 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.647 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.1 p -81.76 -43.85 17.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.94 -26.19 64.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.9 -62.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.38 -35.84 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.26 -20.36 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -32.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 39' ' ' VAL . 9.3 mt -51.74 -24.7 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.01 -33.61 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -79.2 -25.98 42.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.76 -5.14 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.13 10.91 61.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.45 130.42 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 110.848 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -101.17 23.39 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -131.05 19.99 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.38 -25.99 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.03 -30.13 28.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 69' ' ' LEU . 56.7 tt0 -83.87 -28.1 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -75.01 -34.04 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -57.17 -40.6 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.86 -20.75 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mmt -79.76 -51.05 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -24.68 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.28 -20.88 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -72.41 -47.25 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -67.05 -30.93 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.541 ' OD2' HD21 ' A' ' 21' ' ' LEU . 40.2 t0 -74.55 111.14 9.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -95.22 -16.76 22.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.29 1.63 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.26 32.81 10.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -104.06 169.55 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.46 47.66 3.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -165.89 147.04 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 ' OE1' ' A' ' 58' ' ' GLU . 31.7 pt -138.45 141.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.97 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -48.6 -42.13 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -39.46 93.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.759 ' OE1' HG22 ' A' ' 54' ' ' ILE . 35.9 mt-10 -69.59 -56.29 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -55.61 -39.05 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.5 -47.38 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -48.05 -27.33 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.9 OUTLIER -66.68 -45.69 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.9 t -74.37 -44.36 52.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -57.2 -26.62 60.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.65 56.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.455 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 49.59 53.58 14.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.674 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -32.06 19.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.345 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.57 11.56 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -101.89 -59.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.7 mmt -61.1 -19.28 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.84 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.75 -28.63 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -66.01 -59.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.2 -21.45 33.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -65.78 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.6 m -103.74 24.53 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.766 0.317 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -62.66 164.22 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.695 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.2 p-10 -101.95 -35.89 8.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 9.5 mmt -46.23 -44.78 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -45.83 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -55.11 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -56.75 -49.2 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -52.53 -40.82 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -79.48 -20.01 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -59.39 4.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 9.6 m-85 -73.06 -23.05 60.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.31 60.19 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -97.01 9.24 42.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.33 -19.91 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.21 19.28 33.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.41 171.7 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.02 7.13 81.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -145.13 169.83 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.3 pt -133.76 138.33 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.9 122.76 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.18 -16.23 38.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.651 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.5 p -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.15 -25.64 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.31 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.842 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -53.95 -34.62 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.24 -20.22 45.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.45 -33.83 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.31 -25.44 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -57.55 -33.86 68.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -81.2 -26.31 36.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.478 HD12 HG11 ' A' ' 76' ' ' VAL . 3.1 mm? -73.27 -7.81 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.38 0.77 62.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.66 131.26 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -101.62 20.76 15.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.3 m -128.66 19.75 6.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.95 -25.97 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.62 -31.21 28.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.64 -30.05 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.451 HG11 HD12 ' A' ' 28' ' ' LEU . 11.9 p -73.1 -33.37 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 12.5 tt0 -57.82 -38.75 76.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.46 -20.48 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -79.63 -48.14 14.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -54.81 -25.04 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.93 -47.97 48.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.7 pt -67.02 -31.13 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.494 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.1 t0 -77.22 110.73 12.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.89 -16.85 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.24 1.25 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.17 33.8 11.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 169.06 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.09 48.71 4.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -165.82 148.0 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.768 HG22 ' OE1' ' A' ' 58' ' ' GLU . 14.0 pt -139.02 136.3 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.77 175.06 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.79 -42.59 47.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -40.28 91.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.768 ' OE1' HG22 ' A' ' 54' ' ' ILE . 35.0 mt-10 -65.99 -57.14 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.61 -39.49 73.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.35 -46.49 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -48.15 -28.29 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.2 t80 -65.48 -44.21 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.8 t -75.38 -44.26 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -23.72 48.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.24 -18.75 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 15.2 m-80 47.76 55.01 16.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.655 0.741 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.74 -28.33 25.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.248 . . . . 0.0 112.307 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.76 8.91 21.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.8 mm? -102.13 -60.48 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -53.06 -29.63 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -46.57 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -85.52 -27.63 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 69' ' ' LEU . 40.3 t -66.65 -60.51 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.95 -20.76 40.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -32.37 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG11 HD12 ' A' ' 31' ' ' LEU . 3.6 t -78.29 -16.92 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.46 -29.13 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.488 ' O ' HD12 ' A' ' 7' ' ' ILE . 17.2 m-20 -57.0 -56.39 22.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.9 mmm -52.06 -29.2 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.49 -41.09 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -58.0 -38.47 76.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 7' ' ' ILE . 5.0 mp -78.97 -44.45 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -76.0 -20.98 57.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.6 m-85 -75.45 -8.68 57.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.35 60.53 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.1 9.58 39.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.32 -16.85 12.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.56 -9.36 77.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -67.3 174.35 3.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.12 24.63 30.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -152.18 163.7 38.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.723 0.297 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.05 138.85 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -59.92 122.51 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.751 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -84.89 -16.49 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.9 m -81.9 -46.41 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.68 -25.16 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.94 -61.74 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -53.68 -35.53 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.18 -20.6 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.25 -32.93 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.47 -24.9 5.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -58.9 -33.01 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -77.45 -26.78 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 30' ' ' THR . 3.2 mm? -76.77 -5.03 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.28 10.11 68.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 133.15 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.967 0.413 . . . . 0.0 110.844 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.14 22.68 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 m -133.67 18.64 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.38 -25.82 17.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.67 -30.75 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -82.94 -30.02 28.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -72.99 -33.1 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 11.2 tt0 -57.99 -38.82 76.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -83.33 -20.49 34.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.2 mmt -79.78 -47.99 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.468 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.16 -25.41 32.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.46 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -72.04 -46.53 56.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 pt -67.43 -33.32 61.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.617 ' OD2' HD21 ' A' ' 21' ' ' LEU . 34.9 t0 -70.22 106.93 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 t -90.73 -17.57 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.22 1.33 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.97 34.3 11.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -102.0 170.22 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.3 40.51 2.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.52 150.5 12.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.751 ' CG2' HD23 ' A' ' 21' ' ' LEU . 14.2 pt -141.18 136.28 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.93 174.92 8.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -40.96 63.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -40.86 96.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 38.4 mt-10 -70.78 -53.26 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.46 -37.45 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.27 -45.57 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -48.22 -26.94 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -66.51 -45.16 80.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.35 -44.61 44.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.19 -23.87 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.26 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.429 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 8.2 m-80 48.16 55.52 17.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 -24.6 29.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.92 10.57 28.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.73 -59.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.909 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.405 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -60.85 -26.09 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -49.34 -43.17 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.37 -25.06 27.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 69' ' ' LEU . 41.2 t -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.42 -26.53 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.576 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.6 -32.31 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.576 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.3 m -105.58 23.99 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.844 0.354 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -108.54 150.2 27.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.665 ' O ' HD12 ' A' ' 7' ' ' ILE . 74.9 m-20 -77.66 -53.37 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.803 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.8 mmm -51.23 -30.04 16.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.56 -43.3 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -56.99 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -52.82 -47.79 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 19' ' ' ILE . 70.9 t80 -52.61 -37.92 59.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -83.14 -19.69 36.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -54.37 -50.05 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.6 m-30 -82.16 -17.75 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -86.76 52.65 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -97.14 9.39 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -94.21 -20.58 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.26 24.4 8.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -108.37 176.32 5.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.9 -2.65 62.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -130.64 173.26 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 20.7 pt -135.19 137.53 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.16 120.35 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.851 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.61 -15.41 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.68 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.5 m -81.51 -42.37 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.65 -25.54 62.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.34 -62.07 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.856 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.47 -34.34 57.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.31 -19.92 41.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.7 -34.22 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.34 -24.76 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -58.81 -33.54 70.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -79.56 -26.6 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.06 -5.63 45.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.57 6.53 67.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 131.84 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.409 . . . . 0.0 110.838 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.57 26.4 7.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -134.6 18.11 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.87 17.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.44 -31.6 33.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -81.08 -33.59 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.01 -31.67 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -62.81 -39.07 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -82.96 -20.19 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.1 mmt -79.28 -49.06 13.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -24.77 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.8 -20.7 63.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -74.3 -48.29 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' A' ' 61' ' ' SER . 40.2 pt -69.35 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' CG ' HD21 ' A' ' 21' ' ' LEU . 12.9 t70 -82.66 106.91 14.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -98.94 -18.97 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.22 3.69 54.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.1 31.01 7.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -105.63 167.83 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -88.13 51.04 3.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.28 148.97 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.851 ' CG2' HD23 ' A' ' 21' ' ' LEU . 42.5 pt -140.29 138.54 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.27 175.83 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -49.07 -42.03 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -39.39 86.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -68.06 -55.22 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.95 -38.42 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -65.42 -47.3 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.454 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.5 m -49.09 -27.0 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.2 t80 -69.49 -43.62 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.84 -43.9 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -23.9 51.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.11 -18.96 44.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.6 m-80 48.98 54.42 16.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.4 Cg_endo -69.72 -28.08 25.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.386 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.85 10.79 24.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.5 mm? -101.42 -59.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -59.39 -22.85 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -49.47 -45.97 47.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -84.91 -27.75 26.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.69 -26.0 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.5 -16.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.765 0.316 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.81 154.1 47.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.649 ' O ' HD12 ' A' ' 7' ' ' ILE . 20.3 m-20 -121.98 -47.48 2.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 38.1 mmm -55.94 -24.92 40.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.48 -38.84 85.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -63.49 -61.37 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.5 mp -53.21 -48.02 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 19' ' ' ILE . 82.1 t80 -52.47 -38.34 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -83.39 -19.67 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -52.17 61.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 13.8 m-30 -78.49 -5.5 52.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -88.48 49.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -97.2 8.62 44.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -100.58 -19.95 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.66 25.35 9.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.545 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -115.61 139.78 49.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.45 -22.8 39.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -108.38 173.71 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 20.8 pt -132.8 142.02 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.5 t -61.92 123.35 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.857 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -89.53 -15.81 32.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.677 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.1 m -81.31 -42.15 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.29 -25.14 61.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.882 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.8 -62.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.882 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.56 -34.18 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -81.25 -20.03 41.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.74 -34.09 18.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.42 -24.8 5.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.59 -33.2 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -81.33 -26.23 35.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD12 HG11 ' A' ' 76' ' ' VAL . 3.5 mm? -74.1 -7.19 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.34 8.06 61.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.29 131.75 43.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.7 26.44 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 m -134.05 18.57 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.59 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 -31.46 32.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -81.2 -33.2 33.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.57 -32.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -60.5 -40.47 91.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -81.48 -19.64 41.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mmt -80.86 -47.24 14.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -23.59 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.68 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.2 -46.29 51.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.3 pt -71.96 -32.38 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' CG ' HD21 ' A' ' 21' ' ' LEU . 15.9 t70 -80.57 105.75 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.6 t -97.61 -20.38 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.62 3.3 53.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.24 29.22 9.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -106.33 167.49 9.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -87.06 48.12 3.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 88.0 m-85 -158.82 145.69 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.857 ' CG2' HD23 ' A' ' 21' ' ' LEU . 42.5 pt -136.39 138.85 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.46 174.63 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -48.76 -39.48 25.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -38.7 78.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.73 -55.32 10.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.07 -37.83 69.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mm -66.72 -46.14 86.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 46' ' ' ILE . 18.1 t -49.38 -27.51 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.443 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.5 t80 -69.86 -41.69 74.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.86 -43.68 35.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -22.43 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.7 -17.83 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.0 m-80 48.49 54.11 15.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.59 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.79 -29.07 24.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.0 6.13 22.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.9 mm? -101.7 -56.93 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HA ' ' HB ' ' A' ' 73' ' ' VAL . 7.9 mmt -59.78 -18.09 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.42 -51.23 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.3 p30 -83.55 -29.67 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 69' ' ' LEU . 41.9 t -63.96 -50.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -16.66 52.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -26.58 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 31' ' ' LEU . 2.4 t -89.25 11.86 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.768 0.318 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -86.66 174.75 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.691 ' O ' HD12 ' A' ' 7' ' ' ILE . 24.0 m-20 -96.1 -44.43 7.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.8 mmt -50.23 -31.95 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -65.37 -39.09 91.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -63.08 -61.07 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -54.24 -49.12 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.454 ' O ' HG21 ' A' ' 19' ' ' ILE . 76.5 t80 -52.27 -39.31 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -82.13 -19.72 39.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -53.86 -54.75 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.661 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 13.5 m-30 -75.0 -24.95 58.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.31 64.14 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -97.12 9.92 40.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.2 11.67 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.07 33.55 86.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.448 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -100.97 172.26 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.73 7.63 74.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -148.78 172.81 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.292 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG21 ' O ' ' A' ' 8' ' ' PHE . 36.3 pt -134.13 142.41 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.1 t -65.29 127.33 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.776 HD23 HG23 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -90.74 -15.73 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.661 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 m -79.16 -43.54 23.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.77 -25.23 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.61 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.874 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -53.56 -33.08 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.61 -20.01 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.67 -32.49 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.431 HD12 HG11 ' A' ' 39' ' ' VAL . 9.2 mt -51.46 -24.96 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.13 -33.97 72.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.2 t -79.99 -25.75 40.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.48 -5.67 46.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 4.68 63.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.38 129.78 39.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.406 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.17 26.46 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -130.49 19.99 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.87 -26.95 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.27 -31.33 30.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -81.52 -31.19 32.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG11 HD12 ' A' ' 28' ' ' LEU . 12.3 p -71.63 -33.34 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -60.1 -40.09 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -80.73 -19.93 43.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -79.89 -48.22 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -23.09 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.62 -20.64 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.62 -48.85 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.8 pt -69.94 -30.55 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.1 t70 -89.02 109.43 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.2 5.89 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.39 30.41 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.13 171.75 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -94.67 45.12 2.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.526 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 97.9 m-85 -159.75 145.68 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.776 HG23 HD23 ' A' ' 21' ' ' LEU . 19.8 pt -137.92 140.39 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.63 -179.26 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.79 -45.33 63.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -41.51 96.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.714 ' OE1' HG22 ' A' ' 54' ' ' ILE . 21.4 mt-10 -64.82 -57.71 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.0 -39.53 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -64.44 -46.03 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.476 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.2 m -50.19 -26.84 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 2.2 t80 -69.78 -40.18 76.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.46 -43.92 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.24 -20.7 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.83 -17.58 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.8 m-80 48.9 55.32 17.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.594 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -28.96 24.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.68 6.34 23.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.0 mm? -101.54 -58.47 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HA ' ' HB ' ' A' ' 73' ' ' VAL . 7.5 mmt -63.31 -18.71 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -50.2 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -83.7 -30.56 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.4 t -60.6 -51.8 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.29 -16.77 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.587 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -75.38 -27.96 59.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.587 HG13 ' HG2' ' A' ' 75' ' ' LYS . 17.8 m -107.17 18.35 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -153.37 160.11 42.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.714 ' O ' HD12 ' A' ' 7' ' ' ILE . 48.7 m-20 -66.97 -25.83 66.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.553 ' HG2' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -47.11 -35.53 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -63.37 -45.64 90.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -55.08 -48.64 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -53.01 -39.11 62.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.39 -19.94 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -55.05 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 19' ' ' ILE . 9.3 m-85 -73.98 -21.22 60.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -76.36 66.81 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -95.98 9.57 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.156 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -20.13 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.6 66.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -62.16 175.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.75 17.83 58.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -150.63 165.13 34.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.333 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.469 HD12 ' HD2' ' A' ' 11' ' ' PHE . 31.2 pt -133.04 137.24 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.9 t -56.57 123.76 15.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.97 -15.3 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.9 m -79.45 -46.38 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -66.75 -25.7 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.87 -61.91 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.852 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -54.23 -35.53 62.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.27 -20.25 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.03 -36.57 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 39' ' ' VAL . 10.3 mt -50.84 -51.09 54.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -53.27 -41.89 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -24.93 66.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.14 -13.11 48.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.26 -5.46 28.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.68 133.76 56.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.878 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -100.31 29.76 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 m -135.44 25.63 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.72 -25.32 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.33 -39.79 20.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.71 -33.51 58.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 28' ' ' LEU . 7.6 p -68.69 -32.33 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 18.1 tt0 -62.43 -39.46 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.05 -20.21 35.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -82.21 -45.8 14.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.12 -24.99 28.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.36 -45.86 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.428 HG22 ' CB ' ' A' ' 61' ' ' SER . 37.5 pt -70.08 -30.13 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.6 t0 -79.73 110.0 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.95 -17.06 21.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.35 1.38 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.43 34.87 9.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.56 169.15 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.32 48.61 4.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 18.5 m-85 -165.96 148.02 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.789 HG22 ' OE1' ' A' ' 58' ' ' GLU . 12.6 pt -138.83 135.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.8 173.87 8.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.63 -39.85 37.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.17 85.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.789 ' OE1' HG22 ' A' ' 54' ' ' ILE . 38.2 mt-10 -68.29 -57.17 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.41 -38.8 69.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.553 HD13 ' HG2' ' A' ' 4' ' ' MET . 6.7 mm -65.83 -45.2 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 46' ' ' ILE . 4.0 m -49.82 -27.43 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.33 -40.06 77.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.93 -44.49 22.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -23.03 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.76 -17.86 49.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.4 m-80 49.18 55.36 17.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.74 -30.65 22.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.729 2.286 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.3 4.88 23.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -100.78 -57.66 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.356 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.7 mmt -60.33 -19.53 55.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -58.24 -48.15 81.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.09 -25.04 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 69' ' ' LEU . 44.7 t -69.81 -51.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.03 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -70.57 -26.93 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.6 m -105.68 27.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.779 0.323 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.56 149.71 41.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.688 ' O ' HD12 ' A' ' 7' ' ' ILE . 7.6 m-20 -113.19 -34.08 5.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.5 mmt -47.01 -43.83 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -50.62 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -51.07 -60.72 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -54.94 -47.77 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -52.61 -45.23 66.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -77.36 -20.24 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.82 -50.65 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.733 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.2 m-85 -82.01 -8.63 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -77.87 59.77 2.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -88.12 9.35 22.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -17.44 12.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.92 -9.16 73.22 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.26 175.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.93 20.55 46.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -152.47 166.03 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.4 HG13 HG13 ' A' ' 54' ' ' ILE . 27.9 pt -132.69 137.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 120.86 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD23 HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -82.51 -16.7 47.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.674 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.9 p -81.54 -45.66 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.52 -24.91 65.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.91 -61.83 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -54.1 -35.05 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.68 -20.14 47.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.534 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.57 -34.11 18.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD12 HG11 ' A' ' 39' ' ' VAL . 9.5 mt -51.58 -25.02 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -58.04 -33.56 69.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.5 t -78.21 -26.66 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.93 -5.33 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.07 5.56 73.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 133.02 53.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -102.29 23.48 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.0 p -134.33 18.68 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.18 -25.48 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.046 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.91 -31.99 27.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.88 -30.03 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 28' ' ' LEU . 11.6 p -72.66 -33.57 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.459 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 11.3 tt0 -57.81 -38.65 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.86 -20.87 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.1 mmt -79.12 -47.55 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.459 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -54.79 -25.89 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.51 -21.06 65.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.27 -47.46 49.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 62' ' ' PHE . 20.3 pt -67.02 -34.65 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.548 ' OD2' HD21 ' A' ' 21' ' ' LEU . 39.7 t0 -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -94.74 -14.96 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.29 0.35 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 35.46 14.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.73 169.41 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.43 42.73 3.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -163.92 150.33 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.715 HG23 HD23 ' A' ' 21' ' ' LEU . 3.3 pt -142.46 131.24 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -179.29 7.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.44 -45.24 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -42.54 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 36.1 mt-10 -67.64 -55.42 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.541 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.4 t80 -58.34 -36.96 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.24 -46.02 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -47.76 -27.36 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.1 t80 -64.84 -45.38 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -74.68 -44.36 50.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -25.1 57.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.62 -19.32 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 10.2 m-80 48.34 55.14 16.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.645 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -24.95 29.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.2 10.54 27.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.6 mm? -101.47 -59.75 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -60.15 -22.68 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -49.79 -46.06 50.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.86 -27.49 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.7 t -68.45 -62.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.72 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -30.44 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.3 -16.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.762 0.315 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -115.47 -176.31 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.686 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -130.4 -72.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.0 mmt -48.27 -41.6 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.51 -40.2 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 -62.03 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -56.71 -47.26 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -51.66 -41.14 61.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -81.05 -20.17 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -53.46 -42.99 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.623 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.6 m-30 -90.36 -28.28 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.1 68.69 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -96.9 9.56 41.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.5 10.51 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.14 33.55 86.19 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.76 165.94 12.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.05 1.81 86.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -146.47 169.13 19.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -132.94 137.92 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -55.31 122.51 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.25 -16.53 37.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.0 p -82.22 -43.63 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.67 -25.24 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.96 -62.31 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.855 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.96 -35.36 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -79.41 -19.85 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 30' ' ' THR . . . -88.01 -35.15 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.16 -25.05 8.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -62.82 -34.37 77.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.571 HG23 HD22 ' A' ' 31' ' ' LEU . 1.2 t -69.27 -26.73 64.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD22 HG23 ' A' ' 30' ' ' THR . 3.2 mm? -84.59 1.9 43.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.35 9.53 72.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 p -51.56 139.73 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -109.93 10.67 24.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -132.16 17.32 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.14 -26.11 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.25 -31.76 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -81.82 -31.48 31.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 36' ' ' ALA . 11.8 p -71.12 -32.59 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 12.2 tt0 -58.73 -38.84 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -84.14 -20.67 32.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.1 mmt -79.59 -47.0 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.446 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.38 -25.2 34.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -21.19 65.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.75 -47.96 50.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 pt -67.44 -30.44 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.499 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.7 t0 -77.24 110.9 12.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -95.71 -17.19 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.16 2.08 42.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.25 33.63 7.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 168.73 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.47 49.03 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.2 m-85 -166.25 148.33 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.765 HG22 ' OE1' ' A' ' 58' ' ' GLU . 15.0 pt -138.58 136.49 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.95 174.77 8.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.26 -40.74 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.18 85.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.765 ' OE1' HG22 ' A' ' 54' ' ' ILE . 38.3 mt-10 -67.69 -56.96 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -55.41 -39.58 70.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.93 -46.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -48.27 -27.35 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -66.76 -44.01 82.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.3 t -74.84 -43.73 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -25.93 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.48 -18.4 54.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 7.2 m-80 49.71 53.2 13.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.607 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 54.1 Cg_endo -69.74 -32.96 17.64 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.763 2.309 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.46 10.82 14.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.607 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -102.79 -58.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.6 -16.69 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -49.18 69.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.82 -30.08 26.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -62.24 -50.28 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.93 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -70.71 -27.8 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 75' ' ' LYS . 14.9 m -102.39 25.81 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 t70 75.85 -5.14 2.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 7' ' ' ILE . 6.9 p-10 -49.08 -50.44 36.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.401 ' SD ' HD13 ' A' ' 60' ' ' ILE . 8.4 mmt -46.43 -41.79 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -51.33 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -49.79 -61.73 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -56.72 -47.28 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -52.67 -40.92 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -79.63 -20.09 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -51.41 64.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.669 ' CE2' HD23 ' A' ' 24' ' ' LEU . 8.8 m-85 -82.97 -6.15 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -75.63 68.44 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -94.73 9.07 40.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.67 -19.5 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.83 -9.52 73.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.67 176.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.68 22.8 31.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -152.14 169.4 22.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.712 0.291 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 pt -138.29 137.5 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.21 122.22 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.92 -16.12 39.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.649 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.8 m -81.82 -44.34 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -68.88 -25.87 64.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.862 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.29 -61.75 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.862 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.68 -36.11 61.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -78.76 -20.47 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.29 -33.94 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 HG11 ' A' ' 39' ' ' VAL . 9.1 mt -51.93 -24.69 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -33.07 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -81.0 -26.27 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.12 -7.2 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.73 6.34 63.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.97 131.89 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.85 22.41 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -131.37 19.71 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.15 -26.44 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -30.8 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.67 -31.02 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.475 HG11 HD12 ' A' ' 28' ' ' LEU . 11.8 p -72.03 -32.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 13.2 tt0 -59.07 -38.6 79.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -83.83 -20.81 32.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -79.69 -47.44 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.1 -24.89 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.39 -21.5 65.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.89 -47.51 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.1 pt -67.99 -29.69 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.483 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.6 t0 -79.71 111.43 16.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -96.23 -17.66 20.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.72 1.58 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 32.81 9.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.96 168.7 8.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.18 49.69 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -165.81 147.02 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 58' ' ' GLU . 14.3 pt -138.15 135.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.27 174.24 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -49.79 -40.29 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.64 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.776 ' OE1' HG22 ' A' ' 54' ' ' ILE . 33.5 mt-10 -68.22 -57.02 6.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -55.27 -38.95 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.401 HD13 ' SD ' ' A' ' 4' ' ' MET . 6.6 mm -66.25 -46.31 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -48.66 -27.14 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -67.01 -42.96 84.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.0 t -75.9 -44.03 42.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -23.58 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.68 -18.76 43.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.81 54.29 15.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.58 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.1 Cg_endo -69.83 -29.34 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.22 8.98 20.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.413 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -102.06 -58.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mmt -60.58 -23.35 64.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -50.93 -46.26 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.51 -31.4 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 69' ' ' LEU . 59.1 t -62.79 -59.0 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.17 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.519 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.74 -30.07 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 75' ' ' LYS . 11.5 m -104.59 22.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.92 166.97 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.611 ' O ' HD12 ' A' ' 7' ' ' ILE . 72.3 m-20 -71.2 -57.76 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.9 mmm -53.85 -27.33 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.78 -42.93 90.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -56.07 -50.42 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.8 mp -64.56 -48.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -52.19 -40.05 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -81.75 -19.86 40.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' NH2' HD21 ' A' ' 31' ' ' LEU . 26.7 ttt180 -53.74 -53.55 50.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' HD2' HD12 ' A' ' 19' ' ' ILE . 13.6 m-85 -74.35 -27.45 60.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.15 63.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -96.61 9.57 41.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.85 13.41 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.26 33.43 86.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -98.22 174.93 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.3 8.85 59.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -152.06 165.92 33.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.593 HD12 ' HD2' ' A' ' 11' ' ' PHE . 37.0 pt -129.47 138.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -59.19 124.93 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -86.12 -14.96 42.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.9 m -80.94 -46.9 14.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -66.93 -24.99 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.7 -62.09 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.874 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.84 -36.18 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.93 -20.28 49.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.529 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.32 -34.69 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD12 HG11 ' A' ' 39' ' ' VAL . 9.8 mt -52.13 -24.63 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -32.1 69.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -79.76 -26.56 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.416 HD21 ' NH2' ' A' ' 10' ' ' ARG . 3.4 mm? -76.04 -5.22 45.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.04 10.81 68.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 133.22 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.47 21.63 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 p -131.74 18.31 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.44 12.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.63 -32.81 31.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -80.47 -33.28 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG11 HD12 ' A' ' 28' ' ' LEU . 11.4 p -69.07 -30.93 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 14.1 tt0 -62.99 -38.75 92.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -84.11 -20.12 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -82.79 -45.26 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.428 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.23 -25.57 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.0 -21.58 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.34 -45.62 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.424 HG22 ' CB ' ' A' ' 61' ' ' SER . 22.4 pt -68.72 -34.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.593 ' OD2' HD21 ' A' ' 21' ' ' LEU . 36.1 t0 -70.99 108.02 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -92.31 -17.13 25.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.05 1.9 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.14 34.34 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.17 169.76 8.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.37 42.09 2.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -163.62 150.32 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.718 ' CG2' HD23 ' A' ' 21' ' ' LEU . 11.2 pt -140.97 135.0 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -174.22 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.51 -44.89 95.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 40.6 mt-10 -70.32 -53.2 17.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.2 t80 -59.85 -34.62 73.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.78 -43.98 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.2 m -49.43 -27.09 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' A' ' 46' ' ' ILE . 2.0 t80 -67.56 -40.89 84.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.0 t -78.56 -44.75 23.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -21.95 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.56 -18.01 46.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 24.5 m-80 49.73 54.98 16.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.643 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -30.24 22.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.73 4.3 23.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -101.14 -57.54 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.2 mmt -58.55 -26.89 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.94 -45.85 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.28 -27.1 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 69' ' ' LEU . 61.7 t -69.25 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.91 -27.5 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -29.64 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.79 -16.01 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.796 0.332 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.36 146.75 33.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 7' ' ' ILE . 52.8 m-20 -125.69 -57.1 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.2 mmm -51.79 -29.37 18.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.57 -60.88 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -51.71 -48.16 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -52.33 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -80.87 -19.97 43.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -55.63 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.2 m-30 -74.43 -23.03 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -76.46 66.62 2.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -96.41 9.31 41.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -19.67 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.75 -9.09 64.01 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.1 p30 -63.79 170.39 3.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.14 20.96 44.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -152.96 166.75 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.04 138.19 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.27 120.8 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.769 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -83.27 -16.68 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 21' ' ' LEU . 12.4 m -81.68 -45.63 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -67.91 -26.13 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.32 -61.55 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.852 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.77 -35.86 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.19 -20.13 49.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -33.69 19.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.538 HD12 HG11 ' A' ' 39' ' ' VAL . 9.5 mt -51.64 -24.78 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.96 -33.39 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -80.42 -26.24 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.47 -6.55 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.19 10.74 62.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.68 131.28 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.408 . . . . 0.0 110.821 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -100.58 21.97 12.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 m -130.81 19.92 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.1 -26.18 15.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.48 -30.94 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -82.65 -30.66 29.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.538 HG11 HD12 ' A' ' 28' ' ' LEU . 12.3 p -71.98 -33.35 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -57.64 -42.27 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.87 -20.94 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.0 mmt -79.0 -50.92 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -24.93 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -21.55 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -71.42 -46.01 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 pt -68.14 -33.82 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.623 ' OD2' HD21 ' A' ' 21' ' ' LEU . 36.3 t0 -68.03 103.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -89.21 -15.53 33.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.22 0.16 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.51 34.98 14.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.66 170.04 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.13 41.17 2.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -164.03 150.56 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.769 ' CG2' HD23 ' A' ' 21' ' ' LEU . 11.7 pt -141.17 135.94 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -174.99 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.88 -43.5 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 43.9 mt-10 -71.15 -50.9 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -62.6 -34.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.14 -46.94 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t -47.11 -28.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -64.17 -45.71 87.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.9 t -75.2 -44.51 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.19 43.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.23 -18.72 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.0 m-80 47.38 55.21 16.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.642 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.71 -24.77 29.54 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.53 26.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.69 -60.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -62.89 -23.53 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -50.16 -45.53 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.01 -25.98 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -70.46 -62.65 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.31 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -30.77 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.4 m -109.36 23.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.738 0.304 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -144.14 155.28 43.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.703 ' O ' HD12 ' A' ' 7' ' ' ILE . 3.7 m-20 -61.24 -27.06 68.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.542 ' HG2' HD13 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.23 -44.23 88.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -55.01 -60.63 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -57.34 -47.38 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.14 -38.79 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -79.79 -19.85 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -56.09 -57.78 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 9.5 m-85 -74.93 -23.49 58.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -81.16 64.67 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -96.07 9.63 40.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.0 9.49 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.22 33.62 86.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.534 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -97.29 169.37 9.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.32 4.5 82.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -147.38 168.72 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.6 pt -133.05 136.49 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.12 123.84 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -86.41 -16.66 36.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.648 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.1 m -77.23 -45.08 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.09 -25.89 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.18 -61.32 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -53.97 -33.78 57.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.9 -19.63 40.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.75 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.21 -52.79 57.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -46.83 -47.57 21.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -54.99 -47.39 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.67 -11.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.1 -7.69 27.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.56 139.72 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 t -110.6 25.44 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.0 m -136.03 17.84 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.91 27.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.7 -31.78 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -79.96 -36.82 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.93 -31.39 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.17 -41.7 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -80.54 -21.16 42.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.09 -49.95 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -23.6 12.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.17 -21.72 64.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -74.5 -48.62 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.407 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.4 pt -69.28 -27.75 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.535 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.8 t70 -93.55 107.34 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -101.12 -15.45 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.72 2.09 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.44 33.32 8.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -103.7 168.69 8.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -89.66 48.79 3.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-85 -166.11 149.07 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.58 HG22 ' OE1' ' A' ' 58' ' ' GLU . 5.1 pt -140.64 133.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.15 173.9 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.21 -39.61 44.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' HG22 ' A' ' 54' ' ' ILE . 31.3 mt-10 -69.13 -55.95 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -56.48 -38.04 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.542 HD13 ' HG2' ' A' ' 4' ' ' MET . 7.4 mm -66.89 -46.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.407 ' CB ' HG22 ' A' ' 46' ' ' ILE . 17.3 t -48.9 -27.03 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -69.05 -43.2 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.4 t -75.86 -44.13 42.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -24.43 54.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.65 -18.7 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 13.8 m-80 48.55 54.94 16.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.75 -27.03 27.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 10.4 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.647 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.28 -60.05 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -59.67 -22.85 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -49.44 -45.96 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.71 -30.72 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.04 -58.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -20.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.537 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.19 -29.43 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.537 HG13 ' HG2' ' A' ' 75' ' ' LYS . 13.2 m -105.88 24.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.609 ' O ' HD12 ' A' ' 7' ' ' ILE . 6.2 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.4 mmm -57.76 -23.3 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.67 -45.09 88.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -57.17 -60.04 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -53.76 -46.57 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -53.13 -39.91 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -80.25 -19.94 45.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -53.68 -50.08 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.5 m-85 -80.51 -26.48 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.469 HG13 HG12 ' A' ' 54' ' ' ILE . 21.2 pt -131.13 137.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.5 t -56.08 121.92 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.46 -14.42 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.633 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -81.12 -45.77 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.38 -24.98 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.862 HD13 ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -60.96 -61.79 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.862 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -54.19 -35.43 62.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.94 -19.91 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.48 -34.34 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD12 HG11 ' A' ' 39' ' ' VAL . 9.8 mt -51.84 -24.84 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.27 -33.44 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -80.67 -26.26 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.2 mm? -74.4 -6.45 48.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.31 10.19 64.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.43 131.78 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -101.12 22.25 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -130.31 19.12 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.78 -25.13 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.38 -33.33 28.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -80.55 -32.23 36.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.502 HG11 HD12 ' A' ' 28' ' ' LEU . 11.4 p -70.19 -32.64 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.4 tt0 -60.04 -39.05 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -84.0 -20.08 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mmt -80.53 -46.58 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.472 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.73 -24.78 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.33 64.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.85 -46.13 59.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.421 HG22 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -69.28 -30.36 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' OD2' HD21 ' A' ' 21' ' ' LEU . 39.7 t0 -76.47 110.19 10.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.01 -16.62 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.48 0.98 37.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 34.29 11.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.77 169.06 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.47 48.53 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.458 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -165.77 150.03 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.63 ' CG2' HD23 ' A' ' 21' ' ' LEU . 30.8 pt -142.51 141.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.81 -168.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.14 -41.01 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -39.11 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.3 -56.96 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -55.76 -37.98 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 mm -66.46 -46.23 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.421 ' CB ' HG22 ' A' ' 46' ' ' ILE . 4.8 m -49.3 -27.52 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.6 t80 -68.41 -41.6 80.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.2 t -77.8 -44.69 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -22.28 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.35 -18.2 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 48.93 55.06 17.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.0 Cg_endo -69.82 -29.3 23.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.1 5.81 23.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.8 mm? -101.36 -58.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.37 -19.17 63.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -48.21 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -84.26 -26.77 28.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 69' ' ' LEU . 42.4 t -67.78 -57.12 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.8 -21.47 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -65.44 -28.69 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.421 HG13 ' HG2' ' A' ' 75' ' ' LYS . 6.1 m -108.42 21.93 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.645 ' O ' HD12 ' A' ' 7' ' ' ILE . 77.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.329 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.32 -30.38 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -60.37 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -52.76 -46.39 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.408 ' O ' HG21 ' A' ' 19' ' ' ILE . 75.0 t80 -52.84 -38.6 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -81.34 -19.85 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.426 HH22 HD11 ' A' ' 31' ' ' LEU . 17.4 ttt180 -54.66 -49.77 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CE2' HD23 ' A' ' 24' ' ' LEU . 9.6 m-30 -84.48 -17.99 37.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.746 0.308 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.46 HG13 HG12 ' A' ' 54' ' ' ILE . 21.0 pt -133.9 138.46 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -56.98 121.71 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.668 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -85.66 -16.39 39.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.642 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.4 m -81.55 -45.0 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.76 -26.87 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -61.68 -61.74 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.86 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.25 -36.48 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.76 -20.84 48.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.08 -28.88 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.781 HD12 HG11 ' A' ' 39' ' ' VAL . 10.1 mt -51.75 -24.92 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -62.16 -34.9 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.1 t -77.15 -25.67 52.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD11 HH22 ' A' ' 10' ' ' ARG . 3.1 mm? -78.93 -2.7 41.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.71 10.1 67.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.41 127.57 32.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -97.06 18.01 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 m -119.16 30.62 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.4 -27.11 68.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.13 -31.69 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -83.88 -28.15 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.781 HG11 HD12 ' A' ' 28' ' ' LEU . 9.5 p -75.69 -35.15 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -55.89 -41.05 73.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.6 mmt -79.64 -51.06 9.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -24.19 28.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.94 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.78 -46.94 50.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -67.02 -29.97 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OD2' HD21 ' A' ' 21' ' ' LEU . 38.1 t0 -74.51 110.64 8.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -94.65 -15.38 24.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 1.12 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.7 34.71 10.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -105.0 169.73 8.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.19 46.12 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -165.65 149.42 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.668 ' CG2' HD23 ' A' ' 21' ' ' LEU . 33.7 pt -138.84 141.36 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.9 175.18 6.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.58 -41.84 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -39.69 94.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.62 -55.0 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.3 -37.24 69.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.94 -47.52 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.3 t -47.69 -28.04 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.36 -45.43 76.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.3 t -75.1 -44.74 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -24.15 52.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.12 -19.16 40.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.9 m-80 47.71 55.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.621 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.73 -27.39 26.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.396 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 8.7 22.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.9 mm? -101.49 -59.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.02 -24.35 53.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -50.03 -46.12 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -84.63 -28.27 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.3 t -67.19 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.7 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -31.31 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.63 -16.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.66 ' O ' HD12 ' A' ' 7' ' ' ILE . 52.3 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.0 mmm -52.77 -28.83 24.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.63 -34.66 77.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -66.09 -54.52 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -59.87 -44.08 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -53.01 -38.23 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -82.0 -19.57 40.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -54.43 -44.33 72.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.629 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.4 m-30 -86.16 -35.02 20.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.449 HD12 ' HD2' ' A' ' 11' ' ' PHE . 50.1 pt -140.38 144.26 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.71 125.89 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -89.51 -16.13 31.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.8 m -81.58 -43.98 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.41 -25.56 63.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.06 -62.09 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.87 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.87 -35.02 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.0 -19.29 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' O ' HG22 ' A' ' 30' ' ' THR . . . -88.85 -33.75 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 HG11 ' A' ' 39' ' ' VAL . 9.3 mt -50.82 -40.01 54.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -55.75 -32.58 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -70.29 -24.3 63.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -86.14 -3.58 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.27 -7.76 58.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.34 129.97 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.944 0.402 . . . . 0.0 110.828 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 t -102.03 27.64 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -136.74 18.44 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.56 -25.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.99 -30.53 28.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' A' ' 69' ' ' LEU . 14.5 tt0 -83.23 -28.92 28.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -74.01 -33.67 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.74 -41.05 81.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -79.03 -20.88 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmt -79.95 -50.41 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -24.46 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.6 -46.64 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.12 -31.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.544 ' OD2' HD21 ' A' ' 21' ' ' LEU . 38.9 t0 -74.11 111.71 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -95.13 -17.08 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.91 1.73 34.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.08 32.36 9.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -102.7 170.1 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -84.42 42.17 3.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 55.3 m-85 -161.2 145.25 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.792 HG22 ' OE1' ' A' ' 58' ' ' GLU . 25.6 pt -137.04 141.55 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.34 176.51 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -50.86 -44.59 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -39.49 94.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.792 ' OE1' HG22 ' A' ' 54' ' ' ILE . 34.5 mt-10 -68.31 -56.34 8.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -57.57 -37.98 74.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.68 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -47.72 -27.85 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -65.97 -45.71 80.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.01 -44.56 47.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -23.52 49.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.11 -19.11 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.45 54.74 16.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.646 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.74 -27.94 25.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.5 9.97 22.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.0 mm? -101.34 -60.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mmt -59.99 -20.88 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -50.57 -47.49 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -84.77 -28.16 26.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 69' ' ' LEU . 43.3 t -66.62 -60.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.12 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -29.73 70.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.77 -15.28 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.622 ' O ' HD12 ' A' ' 7' ' ' ILE . 9.0 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.71 -27.28 27.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.24 -49.05 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -51.65 -59.02 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -54.95 -46.83 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.454 ' O ' HG21 ' A' ' 19' ' ' ILE . 45.9 t80 -52.36 -38.51 58.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -83.3 -19.74 35.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -53.74 -48.0 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' CE2' HD23 ' A' ' 24' ' ' LEU . 12.5 m-30 -83.09 -36.05 25.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.738 0.304 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG21 ' O ' ' A' ' 8' ' ' PHE . 32.7 pt -135.47 138.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -56.5 123.32 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -87.47 -16.32 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.641 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.9 m -81.57 -44.09 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.37 -26.22 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.32 -61.77 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.86 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.33 -35.47 60.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -80.1 -20.19 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.24 -32.28 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD12 HG11 ' A' ' 39' ' ' VAL . 9.4 mt -51.45 -25.0 5.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -59.23 -33.51 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -78.14 -26.29 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.36 -4.91 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.1 8.99 66.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 130.72 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -101.13 22.84 11.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.4 m -130.4 19.88 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.15 -26.2 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.45 -30.78 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -82.77 -30.47 28.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.574 HG11 HD12 ' A' ' 28' ' ' LEU . 12.2 p -72.58 -33.94 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.8 -41.57 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -79.95 -20.8 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.2 mmt -78.21 -50.72 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -24.18 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.68 -21.2 64.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.69 -46.49 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG22 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -68.25 -30.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 21' ' ' LEU . 40.2 t0 -75.79 110.94 10.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -95.28 -16.83 22.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.87 1.69 37.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 32.25 9.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.547 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -103.46 169.03 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.51 47.81 3.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -166.1 146.41 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.793 HG22 ' OE1' ' A' ' 58' ' ' GLU . 20.5 pt -138.34 137.26 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.29 -169.81 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.95 -40.8 97.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -37.35 85.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.793 ' OE1' HG22 ' A' ' 54' ' ' ILE . 39.9 mt-10 -71.1 -55.86 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -56.62 -37.09 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mm -67.04 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.405 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.7 m -48.29 -27.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.1 t80 -67.67 -44.04 78.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.0 t -76.09 -44.46 38.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.72 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.06 -18.51 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.7 m-80 47.91 55.08 16.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.78 -27.71 26.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.52 8.49 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.628 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.1 mm? -101.78 -58.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -61.47 -18.99 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -50.5 -48.84 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.03 -33.78 24.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.7 t -58.54 -53.99 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.52 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -71.15 -29.85 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.52 HG13 ' HG2' ' A' ' 75' ' ' LYS . 11.5 m -104.66 21.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.631 ' O ' HD12 ' A' ' 7' ' ' ILE . 17.1 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.807 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.7 mmm -56.0 -25.55 44.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.28 -42.55 93.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -59.54 -60.84 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -52.47 -48.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -52.01 -41.92 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -80.37 -19.86 45.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -53.6 -54.71 33.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.684 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.7 m-30 -75.58 -23.16 56.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.311 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.41 HG13 HG12 ' A' ' 54' ' ' ILE . 19.1 pt -130.23 136.62 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -53.29 119.03 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.89 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.92 -15.83 37.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.669 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 m -81.52 -42.14 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.92 -25.18 61.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.26 -61.77 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.867 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.95 -34.35 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.8 -19.89 43.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.12 -34.19 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -51.19 -52.15 47.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -48.89 -37.69 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.577 HG22 HD22 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -64.54 -39.68 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD22 HG22 ' A' ' 30' ' ' THR . 3.2 mm? -69.86 -5.15 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.45 -8.38 34.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 137.92 42.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.837 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -110.51 26.8 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.8 p -137.04 18.9 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -55.46 -24.54 31.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -82.26 -31.78 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.64 -31.57 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 36' ' ' ALA . 11.7 p -71.72 -33.11 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -59.91 -40.15 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -81.09 -20.51 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mmt -80.03 -48.49 13.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -22.61 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.86 66.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.03 -45.18 35.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 62' ' ' PHE . 38.5 pt -70.95 -32.95 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 40.6 t0 -79.9 109.44 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -97.0 -16.68 20.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.33 3.0 45.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.04 33.0 6.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.86 167.73 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -86.16 52.41 4.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -166.25 150.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.89 ' CG2' HD23 ' A' ' 21' ' ' LEU . 38.8 pt -145.76 140.76 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.01 -169.65 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.1 -41.3 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -40.08 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' HG22 ' A' ' 54' ' ' ILE . 22.6 mt-10 -67.45 -56.35 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.14 -39.78 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mm -65.25 -46.6 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' HG22 ' A' ' 46' ' ' ILE . 16.2 t -48.92 -26.8 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.438 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.3 t80 -69.57 -43.83 72.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.75 -43.69 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -24.19 53.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.78 45.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 32.1 m-80 48.83 54.83 16.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -26.26 27.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.87 10.94 27.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.647 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.8 mm? -101.66 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -58.8 -23.6 60.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -48.7 -45.33 39.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.01 -27.98 26.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.0 -62.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.09 -25.11 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -62.05 -30.92 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.581 HG13 ' HG2' ' A' ' 75' ' ' LYS . 17.4 m -106.64 23.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.1 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.9 mmm -57.13 -23.98 50.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.94 -48.98 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -51.11 -59.41 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.5 mp -53.99 -47.85 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.66 -38.98 64.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -79.85 -19.75 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -50.94 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CE2' HD23 ' A' ' 24' ' ' LEU . 7.4 m-85 -83.12 -1.99 54.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 pt -134.66 138.31 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -55.55 122.47 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.91 -16.39 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.637 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.2 m -81.35 -45.51 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.31 -26.52 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.63 -61.63 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.865 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -79.46 -20.29 47.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -31.72 20.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.65 -25.05 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -59.39 -33.51 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -75.6 -26.88 58.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 30' ' ' THR . 3.1 mm? -77.88 -3.67 42.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.09 9.8 69.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 131.32 44.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.947 0.403 . . . . 0.0 110.86 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 23.63 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.6 m -132.33 18.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.97 -25.15 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.62 -32.79 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -81.13 -31.2 34.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG11 HD12 ' A' ' 28' ' ' LEU . 11.7 p -71.49 -33.97 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.59 -40.18 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -82.32 -20.53 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.7 mmt -78.42 -48.99 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -24.09 31.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -21.42 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.44 -46.53 54.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -68.56 -30.63 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.498 ' OD2' HD21 ' A' ' 21' ' ' LEU . 41.4 t0 -76.25 110.4 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.3 t -95.36 -17.12 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.66 1.87 41.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.93 32.7 9.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.32 169.05 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.344 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.91 48.83 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -166.17 146.13 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.785 HG22 ' OE1' ' A' ' 58' ' ' GLU . 16.0 pt -138.92 136.21 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -169.56 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.77 -41.54 97.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -37.15 85.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.785 ' OE1' HG22 ' A' ' 54' ' ' ILE . 36.7 mt-10 -70.33 -56.67 6.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.45 -37.12 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.03 -47.49 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -48.77 -27.71 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.3 t80 -66.78 -42.61 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.73 -44.44 33.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -23.02 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.38 -18.63 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.5 m-80 48.2 55.0 16.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.587 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.77 -29.09 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.09 9.14 20.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -101.85 -58.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mmt -64.12 -19.76 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mmpm? -50.74 -47.65 59.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -84.32 -33.85 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 69' ' ' LEU . 48.6 t -58.8 -54.4 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.51 63.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -71.24 -31.91 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.5 HG13 ' HG2' ' A' ' 75' ' ' LYS . 18.9 m -95.48 13.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.7 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.4 mmm -54.71 -26.17 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.8 -45.98 90.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -56.3 -60.88 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -51.47 -47.47 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -52.79 -41.55 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -79.69 -20.09 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -53.99 -53.07 58.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CE2' HD23 ' A' ' 24' ' ' LEU . 10.4 m-85 -78.74 -5.34 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.0 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.747 0.308 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -131.09 138.09 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -60.01 124.38 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.91 -14.64 41.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.642 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.6 p -81.35 -46.42 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -67.34 -26.97 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.3 -62.24 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.869 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.3 t -53.51 -36.81 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.9 -20.01 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.25 -33.06 19.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD12 HG11 ' A' ' 39' ' ' VAL . 10.0 mt -52.26 -24.88 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -32.33 72.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.2 t -79.1 -25.57 43.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.38 -4.37 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 4.99 65.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 129.74 40.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -101.23 25.61 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -132.56 19.93 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.24 -25.8 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.53 -31.11 29.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.63 -30.08 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.554 HG11 HD12 ' A' ' 28' ' ' LEU . 11.9 p -72.99 -33.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.1 -43.28 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.86 -20.73 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.73 -51.43 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -24.18 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.49 -20.67 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.65 -45.4 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.412 HG22 ' CB ' ' A' ' 61' ' ' SER . 24.9 pt -68.13 -34.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.639 ' OD2' HD21 ' A' ' 21' ' ' LEU . 34.8 t0 -67.49 102.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -87.49 -16.44 34.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.54 0.82 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.91 34.6 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -103.01 170.34 8.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 40.93 2.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -163.7 150.67 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.775 ' CG2' HD23 ' A' ' 21' ' ' LEU . 12.9 pt -141.53 136.15 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -174.31 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.24 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -40.35 94.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 42.1 mt-10 -70.34 -53.42 16.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.32 -35.44 75.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.74 -46.46 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.5 m -47.03 -28.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.401 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -63.8 -45.69 88.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.94 -44.84 46.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -24.31 53.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.86 -19.39 41.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 29.8 m-80 47.97 55.43 16.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.81 -25.34 28.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.0 10.0 27.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.03 -59.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.401 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.7 mmt -60.84 -22.23 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -50.5 -45.81 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.02 -25.81 27.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.5 t -70.79 -63.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.89 -27.21 12.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -31.71 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 m -108.52 24.05 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.601 ' O ' HD12 ' A' ' 7' ' ' ILE . 75.4 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.8 -23.87 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.7 -42.22 86.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -58.75 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -56.89 -48.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.23 -38.79 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -82.77 -19.82 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -54.38 -52.12 62.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.4 m-30 -80.26 -3.2 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.7 0.286 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 pt -133.73 137.67 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -57.63 122.44 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.28 -16.82 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.647 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.1 p -81.76 -43.85 17.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.94 -26.19 64.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.9 -62.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.38 -35.84 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.26 -20.36 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -32.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 39' ' ' VAL . 9.3 mt -51.74 -24.7 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.01 -33.61 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -79.2 -25.98 42.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.76 -5.14 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.13 10.91 61.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.45 130.42 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 110.848 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -101.17 23.39 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -131.05 19.99 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.38 -25.99 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.03 -30.13 28.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 69' ' ' LEU . 56.7 tt0 -83.87 -28.1 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -75.01 -34.04 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.17 -40.6 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.86 -20.75 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mmt -79.76 -51.05 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -24.68 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.28 -20.88 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -72.41 -47.25 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -67.05 -30.93 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.541 ' OD2' HD21 ' A' ' 21' ' ' LEU . 40.2 t0 -74.55 111.14 9.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -95.22 -16.76 22.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.29 1.63 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.26 32.81 10.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -104.06 169.55 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.46 47.66 3.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -165.89 147.04 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 ' OE1' ' A' ' 58' ' ' GLU . 31.7 pt -138.45 141.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.97 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -48.6 -42.13 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -39.46 93.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.759 ' OE1' HG22 ' A' ' 54' ' ' ILE . 35.9 mt-10 -69.59 -56.29 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -55.61 -39.05 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.5 -47.38 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -48.05 -27.33 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.9 OUTLIER -66.68 -45.69 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.9 t -74.37 -44.36 52.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -57.2 -26.62 60.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.65 56.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.455 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 49.59 53.58 14.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.674 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -32.06 19.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.345 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.57 11.56 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -101.89 -59.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.7 mmt -61.1 -19.28 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.84 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.75 -28.63 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -66.01 -59.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.2 -21.45 33.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -65.78 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.6 m -103.74 24.53 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.695 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.2 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.819 0.342 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 9.5 mmt -46.23 -44.78 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -45.83 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -55.11 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -56.75 -49.2 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -52.53 -40.82 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -79.48 -20.01 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -59.39 4.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 9.6 m-85 -73.06 -23.05 60.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.79 0.329 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.3 pt -133.76 138.33 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.9 122.76 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.18 -16.23 38.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.651 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.5 p -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.15 -25.64 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.31 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.842 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -53.95 -34.62 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.24 -20.22 45.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.45 -33.83 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.31 -25.44 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -57.55 -33.86 68.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -81.2 -26.31 36.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.478 HD12 HG11 ' A' ' 76' ' ' VAL . 3.1 mm? -73.27 -7.81 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.38 0.77 62.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.66 131.26 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -101.62 20.76 15.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.3 m -128.66 19.75 6.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.95 -25.97 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.62 -31.21 28.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.64 -30.05 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.451 HG11 HD12 ' A' ' 28' ' ' LEU . 11.9 p -73.1 -33.37 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.3 tt0 -57.82 -38.75 76.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.46 -20.48 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -79.63 -48.14 14.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -54.81 -25.04 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.93 -47.97 48.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.7 pt -67.02 -31.13 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.494 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.1 t0 -77.22 110.73 12.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.89 -16.85 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.24 1.25 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.17 33.8 11.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 169.06 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.09 48.71 4.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -165.82 148.0 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.768 HG22 ' OE1' ' A' ' 58' ' ' GLU . 14.0 pt -139.02 136.3 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.77 175.06 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.79 -42.59 47.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -40.28 91.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.768 ' OE1' HG22 ' A' ' 54' ' ' ILE . 35.0 mt-10 -65.99 -57.14 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.61 -39.49 73.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.35 -46.49 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -48.15 -28.29 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.2 t80 -65.48 -44.21 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.8 t -75.38 -44.26 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -23.72 48.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.24 -18.75 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 15.2 m-80 47.76 55.01 16.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.655 0.741 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.74 -28.33 25.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.248 . . . . 0.0 112.307 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.76 8.91 21.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.8 mm? -102.13 -60.48 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -53.06 -29.63 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -46.57 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -85.52 -27.63 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 69' ' ' LEU . 40.3 t -66.65 -60.51 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.95 -20.76 40.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -32.37 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG11 HD12 ' A' ' 31' ' ' LEU . 3.6 t -78.29 -16.92 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.488 ' O ' HD12 ' A' ' 7' ' ' ILE . 17.2 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.9 mmm -52.06 -29.2 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.49 -41.09 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -58.0 -38.47 76.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 7' ' ' ILE . 5.0 mp -78.97 -44.45 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -76.0 -20.98 57.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.6 m-85 -75.45 -8.68 57.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.723 0.297 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.05 138.85 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -59.92 122.51 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.751 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -84.89 -16.49 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.9 m -81.9 -46.41 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.68 -25.16 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.94 -61.74 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -53.68 -35.53 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.18 -20.6 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.25 -32.93 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.47 -24.9 5.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -58.9 -33.01 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -77.45 -26.78 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 30' ' ' THR . 3.2 mm? -76.77 -5.03 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.28 10.11 68.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 133.15 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.967 0.413 . . . . 0.0 110.844 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.14 22.68 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 m -133.67 18.64 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.38 -25.82 17.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.67 -30.75 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -82.94 -30.02 28.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -72.99 -33.1 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.1 tt0 -57.99 -38.82 76.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -83.33 -20.49 34.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.2 mmt -79.78 -47.99 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.468 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.16 -25.41 32.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.46 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -72.04 -46.53 56.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 pt -67.43 -33.32 61.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.617 ' OD2' HD21 ' A' ' 21' ' ' LEU . 34.9 t0 -70.22 106.93 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 t -90.73 -17.57 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.22 1.33 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.97 34.3 11.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -102.0 170.22 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.3 40.51 2.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.52 150.5 12.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.751 ' CG2' HD23 ' A' ' 21' ' ' LEU . 14.2 pt -141.18 136.28 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.93 174.92 8.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -40.96 63.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -40.86 96.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 38.4 mt-10 -70.78 -53.26 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.46 -37.45 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.27 -45.57 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -48.22 -26.94 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -66.51 -45.16 80.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.35 -44.61 44.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.19 -23.87 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.26 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.429 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 8.2 m-80 48.16 55.52 17.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 -24.6 29.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.92 10.57 28.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.73 -59.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.909 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.405 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -60.85 -26.09 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -49.34 -43.17 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.37 -25.06 27.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 69' ' ' LEU . 41.2 t -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.42 -26.53 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.576 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.6 -32.31 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.576 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.3 m -105.58 23.99 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.665 ' O ' HD12 ' A' ' 7' ' ' ILE . 74.9 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.8 mmm -51.23 -30.04 16.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.56 -43.3 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -56.99 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -52.82 -47.79 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 19' ' ' ILE . 70.9 t80 -52.61 -37.92 59.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -83.14 -19.69 36.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -54.37 -50.05 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.6 m-30 -82.16 -17.75 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mttt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 20.7 pt -135.19 137.53 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.16 120.35 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.851 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.61 -15.41 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.68 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.5 m -81.51 -42.37 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.65 -25.54 62.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.34 -62.07 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.856 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.47 -34.34 57.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.31 -19.92 41.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.7 -34.22 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.34 -24.76 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -58.81 -33.54 70.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -79.56 -26.6 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.06 -5.63 45.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.57 6.53 67.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 131.84 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.409 . . . . 0.0 110.838 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.57 26.4 7.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -134.6 18.11 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.87 17.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.44 -31.6 33.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -81.08 -33.59 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.01 -31.67 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.81 -39.07 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -82.96 -20.19 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.1 mmt -79.28 -49.06 13.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -24.77 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.8 -20.7 63.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -74.3 -48.29 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' A' ' 61' ' ' SER . 40.2 pt -69.35 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' CG ' HD21 ' A' ' 21' ' ' LEU . 12.9 t70 -82.66 106.91 14.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -98.94 -18.97 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.22 3.69 54.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.1 31.01 7.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -105.63 167.83 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -88.13 51.04 3.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.28 148.97 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.851 ' CG2' HD23 ' A' ' 21' ' ' LEU . 42.5 pt -140.29 138.54 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.27 175.83 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -49.07 -42.03 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -39.39 86.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -68.06 -55.22 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.95 -38.42 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -65.42 -47.3 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.454 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.5 m -49.09 -27.0 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.415 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.2 t80 -69.49 -43.62 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.84 -43.9 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -23.9 51.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.11 -18.96 44.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.6 m-80 48.98 54.42 16.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.4 Cg_endo -69.72 -28.08 25.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.386 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.85 10.79 24.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.5 mm? -101.42 -59.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -59.39 -22.85 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -49.47 -45.97 47.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -84.91 -27.75 26.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.69 -26.0 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.5 -16.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.649 ' O ' HD12 ' A' ' 7' ' ' ILE . 20.3 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 38.1 mmm -55.94 -24.92 40.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.48 -38.84 85.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -63.49 -61.37 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.5 mp -53.21 -48.02 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 19' ' ' ILE . 82.1 t80 -52.47 -38.34 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -83.39 -19.67 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -52.17 61.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 13.8 m-30 -78.49 -5.5 52.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 20.8 pt -132.8 142.02 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.5 t -61.92 123.35 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.857 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -89.53 -15.81 32.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.677 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.1 m -81.31 -42.15 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.29 -25.14 61.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.882 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.8 -62.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.882 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.56 -34.18 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -81.25 -20.03 41.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.74 -34.09 18.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.42 -24.8 5.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.59 -33.2 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -81.33 -26.23 35.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD12 HG11 ' A' ' 76' ' ' VAL . 3.5 mm? -74.1 -7.19 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.34 8.06 61.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.29 131.75 43.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.7 26.44 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 m -134.05 18.57 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.59 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 -31.46 32.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -81.2 -33.2 33.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.57 -32.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.5 -40.47 91.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -81.48 -19.64 41.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mmt -80.86 -47.24 14.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -23.59 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.68 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.2 -46.29 51.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.3 pt -71.96 -32.38 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' CG ' HD21 ' A' ' 21' ' ' LEU . 15.9 t70 -80.57 105.75 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.6 t -97.61 -20.38 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.62 3.3 53.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.24 29.22 9.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -106.33 167.49 9.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -87.06 48.12 3.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 88.0 m-85 -158.82 145.69 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.857 ' CG2' HD23 ' A' ' 21' ' ' LEU . 42.5 pt -136.39 138.85 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.46 174.63 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -48.76 -39.48 25.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -38.7 78.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.73 -55.32 10.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.07 -37.83 69.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mm -66.72 -46.14 86.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 46' ' ' ILE . 18.1 t -49.38 -27.51 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.443 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.5 t80 -69.86 -41.69 74.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.86 -43.68 35.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -22.43 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.7 -17.83 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.0 m-80 48.49 54.11 15.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.59 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.79 -29.07 24.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.0 6.13 22.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.9 mm? -101.7 -56.93 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HA ' ' HB ' ' A' ' 73' ' ' VAL . 7.9 mmt -59.78 -18.09 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.42 -51.23 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.3 p30 -83.55 -29.67 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 69' ' ' LEU . 41.9 t -63.96 -50.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -16.66 52.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -26.58 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 31' ' ' LEU . 2.4 t -89.25 11.86 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.691 ' O ' HD12 ' A' ' 7' ' ' ILE . 24.0 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.8 mmt -50.23 -31.95 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -65.37 -39.09 91.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -63.08 -61.07 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -54.24 -49.12 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.454 ' O ' HG21 ' A' ' 19' ' ' ILE . 76.5 t80 -52.27 -39.31 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -82.13 -19.72 39.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -53.86 -54.75 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.661 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 13.5 m-30 -75.0 -24.95 58.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.712 0.292 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG21 ' O ' ' A' ' 8' ' ' PHE . 36.3 pt -134.13 142.41 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.1 t -65.29 127.33 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.776 HD23 HG23 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -90.74 -15.73 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.661 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 m -79.16 -43.54 23.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.77 -25.23 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.61 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.874 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -53.56 -33.08 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.61 -20.01 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.67 -32.49 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.431 HD12 HG11 ' A' ' 39' ' ' VAL . 9.2 mt -51.46 -24.96 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.13 -33.97 72.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.2 t -79.99 -25.75 40.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.48 -5.67 46.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 4.68 63.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.38 129.78 39.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.406 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.17 26.46 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -130.49 19.99 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.87 -26.95 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.27 -31.33 30.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -81.52 -31.19 32.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.431 HG11 HD12 ' A' ' 28' ' ' LEU . 12.3 p -71.63 -33.34 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.1 -40.09 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -80.73 -19.93 43.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -79.89 -48.22 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -23.09 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.62 -20.64 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.62 -48.85 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.8 pt -69.94 -30.55 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.1 t70 -89.02 109.43 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.2 5.89 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.39 30.41 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.13 171.75 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -94.67 45.12 2.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.526 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 97.9 m-85 -159.75 145.68 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.776 HG23 HD23 ' A' ' 21' ' ' LEU . 19.8 pt -137.92 140.39 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.63 -179.26 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.79 -45.33 63.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -41.51 96.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.714 ' OE1' HG22 ' A' ' 54' ' ' ILE . 21.4 mt-10 -64.82 -57.71 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.0 -39.53 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -64.44 -46.03 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.476 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.2 m -50.19 -26.84 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 2.2 t80 -69.78 -40.18 76.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.46 -43.92 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.24 -20.7 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.83 -17.58 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.8 m-80 48.9 55.32 17.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.594 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -28.96 24.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.68 6.34 23.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.0 mm? -101.54 -58.47 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HA ' ' HB ' ' A' ' 73' ' ' VAL . 7.5 mmt -63.31 -18.71 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -50.2 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -83.7 -30.56 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.4 t -60.6 -51.8 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.29 -16.77 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.587 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -75.38 -27.96 59.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.587 HG13 ' HG2' ' A' ' 75' ' ' LYS . 17.8 m -107.17 18.35 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.714 ' O ' HD12 ' A' ' 7' ' ' ILE . 48.7 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.553 ' HG2' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -47.11 -35.53 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -63.37 -45.64 90.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -55.08 -48.64 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -53.01 -39.11 62.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.39 -19.94 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -55.05 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 19' ' ' ILE . 9.3 m-85 -73.98 -21.22 60.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.8 mttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.333 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.469 HD12 ' HD2' ' A' ' 11' ' ' PHE . 31.2 pt -133.04 137.24 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.9 t -56.57 123.76 15.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.97 -15.3 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.9 m -79.45 -46.38 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -66.75 -25.7 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.87 -61.91 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.852 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -54.23 -35.53 62.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.27 -20.25 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.03 -36.57 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 39' ' ' VAL . 10.3 mt -50.84 -51.09 54.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -53.27 -41.89 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -24.93 66.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.14 -13.11 48.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.26 -5.46 28.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.68 133.76 56.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.878 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -100.31 29.76 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 m -135.44 25.63 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.72 -25.32 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.33 -39.79 20.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.71 -33.51 58.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 28' ' ' LEU . 7.6 p -68.69 -32.33 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 3.3 tt0 -62.43 -39.46 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.05 -20.21 35.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -82.21 -45.8 14.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.12 -24.99 28.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.36 -45.86 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.428 HG22 ' CB ' ' A' ' 61' ' ' SER . 37.5 pt -70.08 -30.13 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.6 t0 -79.73 110.0 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.95 -17.06 21.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.35 1.38 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.43 34.87 9.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.56 169.15 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.32 48.61 4.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 18.5 m-85 -165.96 148.02 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.789 HG22 ' OE1' ' A' ' 58' ' ' GLU . 12.6 pt -138.83 135.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.8 173.87 8.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.63 -39.85 37.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.17 85.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.789 ' OE1' HG22 ' A' ' 54' ' ' ILE . 38.2 mt-10 -68.29 -57.17 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.41 -38.8 69.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.553 HD13 ' HG2' ' A' ' 4' ' ' MET . 6.7 mm -65.83 -45.2 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 46' ' ' ILE . 4.0 m -49.82 -27.43 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.33 -40.06 77.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.93 -44.49 22.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -23.03 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.76 -17.86 49.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.4 m-80 49.18 55.36 17.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.74 -30.65 22.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.729 2.286 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.3 4.88 23.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -100.78 -57.66 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.356 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.7 mmt -60.33 -19.53 55.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -58.24 -48.15 81.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.09 -25.04 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 69' ' ' LEU . 44.7 t -69.81 -51.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.03 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -70.57 -26.93 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.6 m -105.68 27.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.688 ' O ' HD12 ' A' ' 7' ' ' ILE . 7.6 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.5 mmt -47.01 -43.83 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -50.62 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -51.07 -60.72 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -54.94 -47.77 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -52.61 -45.23 66.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -77.36 -20.24 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.82 -50.65 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.733 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.2 m-85 -82.01 -8.63 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.4 HG13 HG13 ' A' ' 54' ' ' ILE . 27.9 pt -132.69 137.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 120.86 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD23 HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -82.51 -16.7 47.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.674 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.9 p -81.54 -45.66 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.52 -24.91 65.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.91 -61.83 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -54.1 -35.05 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.68 -20.14 47.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.534 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.57 -34.11 18.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD12 HG11 ' A' ' 39' ' ' VAL . 9.5 mt -51.58 -25.02 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -58.04 -33.56 69.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.5 t -78.21 -26.66 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.93 -5.33 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.07 5.56 73.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 133.02 53.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -102.29 23.48 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.0 p -134.33 18.68 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.18 -25.48 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.046 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.91 -31.99 27.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.88 -30.03 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 28' ' ' LEU . 11.6 p -72.66 -33.57 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.459 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.1 tt0 -57.81 -38.65 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.86 -20.87 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.1 mmt -79.12 -47.55 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.459 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -54.79 -25.89 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.51 -21.06 65.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.27 -47.46 49.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 62' ' ' PHE . 20.3 pt -67.02 -34.65 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.548 ' OD2' HD21 ' A' ' 21' ' ' LEU . 39.7 t0 -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -94.74 -14.96 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.29 0.35 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 35.46 14.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.73 169.41 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.43 42.73 3.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -163.92 150.33 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.715 HG23 HD23 ' A' ' 21' ' ' LEU . 3.3 pt -142.46 131.24 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -179.29 7.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.44 -45.24 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -42.54 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 36.1 mt-10 -67.64 -55.42 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.541 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.4 t80 -58.34 -36.96 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.24 -46.02 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -47.76 -27.36 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.1 t80 -64.84 -45.38 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -74.68 -44.36 50.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -25.1 57.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.62 -19.32 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 10.2 m-80 48.34 55.14 16.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.645 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -24.95 29.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.2 10.54 27.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.6 mm? -101.47 -59.75 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -60.15 -22.68 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -49.79 -46.06 50.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.86 -27.49 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.7 t -68.45 -62.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.72 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -30.44 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.3 -16.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.686 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.793 0.33 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.0 mmt -48.27 -41.6 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.51 -40.2 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 -62.03 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -56.71 -47.26 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -51.66 -41.14 61.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -81.05 -20.17 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -53.46 -42.99 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.623 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.6 m-30 -90.36 -28.28 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -132.94 137.92 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -55.31 122.51 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.25 -16.53 37.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.0 p -82.22 -43.63 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.67 -25.24 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.96 -62.31 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.855 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.96 -35.36 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -79.41 -19.85 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 30' ' ' THR . . . -88.01 -35.15 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.16 -25.05 8.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -62.82 -34.37 77.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.571 HG23 HD22 ' A' ' 31' ' ' LEU . 1.2 t -69.27 -26.73 64.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD22 HG23 ' A' ' 30' ' ' THR . 3.2 mm? -84.59 1.9 43.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.35 9.53 72.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 p -51.56 139.73 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -109.93 10.67 24.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -132.16 17.32 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.14 -26.11 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.25 -31.76 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -81.82 -31.48 31.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 36' ' ' ALA . 11.8 p -71.12 -32.59 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.2 tt0 -58.73 -38.84 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -84.14 -20.67 32.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.1 mmt -79.59 -47.0 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.446 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.38 -25.2 34.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -21.19 65.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.75 -47.96 50.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 pt -67.44 -30.44 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.499 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.7 t0 -77.24 110.9 12.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -95.71 -17.19 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.16 2.08 42.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.25 33.63 7.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 168.73 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.47 49.03 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.2 m-85 -166.25 148.33 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.765 HG22 ' OE1' ' A' ' 58' ' ' GLU . 15.0 pt -138.58 136.49 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.95 174.77 8.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.26 -40.74 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.18 85.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.765 ' OE1' HG22 ' A' ' 54' ' ' ILE . 38.3 mt-10 -67.69 -56.96 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -55.41 -39.58 70.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.93 -46.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -48.27 -27.35 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -66.76 -44.01 82.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.3 t -74.84 -43.73 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -25.93 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.48 -18.4 54.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 7.2 m-80 49.71 53.2 13.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.607 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 54.1 Cg_endo -69.74 -32.96 17.64 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.763 2.309 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.46 10.82 14.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.607 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -102.79 -58.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.6 -16.69 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -49.18 69.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.82 -30.08 26.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -62.24 -50.28 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.93 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -70.71 -27.8 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 75' ' ' LYS . 14.9 m -102.39 25.81 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 7' ' ' ILE . 6.9 p-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.401 ' SD ' HD13 ' A' ' 60' ' ' ILE . 8.4 mmt -46.43 -41.79 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -51.33 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -49.79 -61.73 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -56.72 -47.28 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -52.67 -40.92 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -79.63 -20.09 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -51.41 64.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.669 ' CE2' HD23 ' A' ' 24' ' ' LEU . 8.8 m-85 -82.97 -6.15 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.712 0.291 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 pt -138.29 137.5 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.21 122.22 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.92 -16.12 39.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.649 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.8 m -81.82 -44.34 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -68.88 -25.87 64.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.862 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.29 -61.75 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.862 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.68 -36.11 61.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -78.76 -20.47 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.29 -33.94 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 HG11 ' A' ' 39' ' ' VAL . 9.1 mt -51.93 -24.69 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -33.07 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -81.0 -26.27 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.12 -7.2 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.73 6.34 63.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.97 131.89 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.85 22.41 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -131.37 19.71 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.15 -26.44 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -30.8 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.67 -31.02 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.475 HG11 HD12 ' A' ' 28' ' ' LEU . 11.8 p -72.03 -32.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.4 tt0 -59.07 -38.6 79.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -83.83 -20.81 32.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -79.69 -47.44 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.1 -24.89 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.39 -21.5 65.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.89 -47.51 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.1 pt -67.99 -29.69 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.483 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.6 t0 -79.71 111.43 16.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -96.23 -17.66 20.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.72 1.58 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 32.81 9.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.96 168.7 8.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.18 49.69 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -165.81 147.02 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 58' ' ' GLU . 14.3 pt -138.15 135.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.27 174.24 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -49.79 -40.29 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.64 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.776 ' OE1' HG22 ' A' ' 54' ' ' ILE . 33.5 mt-10 -68.22 -57.02 6.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -55.27 -38.95 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.401 HD13 ' SD ' ' A' ' 4' ' ' MET . 6.6 mm -66.25 -46.31 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -48.66 -27.14 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -67.01 -42.96 84.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.0 t -75.9 -44.03 42.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -23.58 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.68 -18.76 43.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.81 54.29 15.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.58 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.1 Cg_endo -69.83 -29.34 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.22 8.98 20.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.413 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -102.06 -58.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mmt -60.58 -23.35 64.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -50.93 -46.26 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.51 -31.4 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 69' ' ' LEU . 59.1 t -62.79 -59.0 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.17 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.519 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.74 -30.07 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 75' ' ' LYS . 11.5 m -104.59 22.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.611 ' O ' HD12 ' A' ' 7' ' ' ILE . 72.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.823 0.344 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.9 mmm -53.85 -27.33 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.78 -42.93 90.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -56.07 -50.42 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.8 mp -64.56 -48.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -52.19 -40.05 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -81.75 -19.86 40.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' NH2' HD21 ' A' ' 31' ' ' LEU . 26.7 ttt180 -53.74 -53.55 50.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' HD2' HD12 ' A' ' 19' ' ' ILE . 13.6 m-85 -74.35 -27.45 60.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.593 HD12 ' HD2' ' A' ' 11' ' ' PHE . 37.0 pt -129.47 138.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -59.19 124.93 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -86.12 -14.96 42.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.9 m -80.94 -46.9 14.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -66.93 -24.99 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.7 -62.09 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.874 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.84 -36.18 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.93 -20.28 49.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.529 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.32 -34.69 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.498 HD12 HG11 ' A' ' 39' ' ' VAL . 9.8 mt -52.13 -24.63 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -32.1 69.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -79.76 -26.56 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.416 HD21 ' NH2' ' A' ' 10' ' ' ARG . 3.4 mm? -76.04 -5.22 45.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.04 10.81 68.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 133.22 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.47 21.63 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 p -131.74 18.31 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.44 12.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.63 -32.81 31.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -80.47 -33.28 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG11 HD12 ' A' ' 28' ' ' LEU . 11.4 p -69.07 -30.93 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.428 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.6 tt0 -62.99 -38.75 92.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -84.11 -20.12 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -82.79 -45.26 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.428 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.23 -25.57 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.0 -21.58 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.34 -45.62 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.424 HG22 ' CB ' ' A' ' 61' ' ' SER . 22.4 pt -68.72 -34.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.593 ' OD2' HD21 ' A' ' 21' ' ' LEU . 36.1 t0 -70.99 108.02 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -92.31 -17.13 25.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.05 1.9 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.14 34.34 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.17 169.76 8.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.37 42.09 2.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -163.62 150.32 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.718 ' CG2' HD23 ' A' ' 21' ' ' LEU . 11.2 pt -140.97 135.0 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -174.22 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.51 -44.89 95.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 40.6 mt-10 -70.32 -53.2 17.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.402 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.2 t80 -59.85 -34.62 73.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.78 -43.98 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.2 m -49.43 -27.09 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' A' ' 46' ' ' ILE . 2.0 t80 -67.56 -40.89 84.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.0 t -78.56 -44.75 23.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -21.95 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.56 -18.01 46.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 24.5 m-80 49.73 54.98 16.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.643 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -30.24 22.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.73 4.3 23.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -101.14 -57.54 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.2 mmt -58.55 -26.89 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.94 -45.85 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.28 -27.1 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 69' ' ' LEU . 61.7 t -69.25 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.91 -27.5 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -29.64 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.79 -16.01 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 7' ' ' ILE . 52.8 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.78 0.324 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.2 mmm -51.79 -29.37 18.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.57 -60.88 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -51.71 -48.16 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -52.33 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -80.87 -19.97 43.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -55.63 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.2 m-30 -74.43 -23.03 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.1 mttt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.3 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.04 138.19 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.27 120.8 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.769 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -83.27 -16.68 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 21' ' ' LEU . 12.4 m -81.68 -45.63 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -67.91 -26.13 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.32 -61.55 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.852 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.77 -35.86 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.19 -20.13 49.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -33.69 19.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.538 HD12 HG11 ' A' ' 39' ' ' VAL . 9.5 mt -51.64 -24.78 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.96 -33.39 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -80.42 -26.24 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.47 -6.55 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.19 10.74 62.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.68 131.28 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.408 . . . . 0.0 110.821 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -100.58 21.97 12.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 m -130.81 19.92 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.1 -26.18 15.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.48 -30.94 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -82.65 -30.66 29.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.538 HG11 HD12 ' A' ' 28' ' ' LEU . 12.3 p -71.98 -33.35 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.64 -42.27 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.87 -20.94 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.0 mmt -79.0 -50.92 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -24.93 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -21.55 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -71.42 -46.01 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 pt -68.14 -33.82 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.623 ' OD2' HD21 ' A' ' 21' ' ' LEU . 36.3 t0 -68.03 103.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -89.21 -15.53 33.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.22 0.16 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.51 34.98 14.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.66 170.04 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.13 41.17 2.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -164.03 150.56 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.769 ' CG2' HD23 ' A' ' 21' ' ' LEU . 11.7 pt -141.17 135.94 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -174.99 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.88 -43.5 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 43.9 mt-10 -71.15 -50.9 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -62.6 -34.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.14 -46.94 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t -47.11 -28.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -64.17 -45.71 87.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.9 t -75.2 -44.51 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.19 43.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.23 -18.72 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.0 m-80 47.38 55.21 16.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.642 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.71 -24.77 29.54 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.53 26.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.69 -60.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -62.89 -23.53 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -50.16 -45.53 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.01 -25.98 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -70.46 -62.65 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.31 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -30.77 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.4 m -109.36 23.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.703 ' O ' HD12 ' A' ' 7' ' ' ILE . 3.7 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.84 0.352 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.542 ' HG2' HD13 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.23 -44.23 88.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -55.01 -60.63 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -57.34 -47.38 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.14 -38.79 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -79.79 -19.85 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -56.09 -57.78 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 9.5 m-85 -74.93 -23.49 58.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.6 pt -133.05 136.49 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.12 123.84 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -86.41 -16.66 36.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.648 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.1 m -77.23 -45.08 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.09 -25.89 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.18 -61.32 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -53.97 -33.78 57.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.9 -19.63 40.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.75 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.21 -52.79 57.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -46.83 -47.57 21.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -54.99 -47.39 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.67 -11.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.1 -7.69 27.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.56 139.72 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 t -110.6 25.44 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.0 m -136.03 17.84 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.91 27.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.7 -31.78 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -79.96 -36.82 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.93 -31.39 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.17 -41.7 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -80.54 -21.16 42.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.09 -49.95 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -23.6 12.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.17 -21.72 64.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -74.5 -48.62 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.407 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.4 pt -69.28 -27.75 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.535 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.8 t70 -93.55 107.34 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -101.12 -15.45 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.72 2.09 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.44 33.32 8.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -103.7 168.69 8.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -89.66 48.79 3.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-85 -166.11 149.07 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.58 HG22 ' OE1' ' A' ' 58' ' ' GLU . 5.1 pt -140.64 133.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.15 173.9 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.21 -39.61 44.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' HG22 ' A' ' 54' ' ' ILE . 31.3 mt-10 -69.13 -55.95 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -56.48 -38.04 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.542 HD13 ' HG2' ' A' ' 4' ' ' MET . 7.4 mm -66.89 -46.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.407 ' CB ' HG22 ' A' ' 46' ' ' ILE . 17.3 t -48.9 -27.03 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -69.05 -43.2 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.4 t -75.86 -44.13 42.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -24.43 54.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.65 -18.7 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 13.8 m-80 48.55 54.94 16.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.75 -27.03 27.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 10.4 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.647 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.28 -60.05 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -59.67 -22.85 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -49.44 -45.96 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.71 -30.72 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.04 -58.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -20.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.537 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.19 -29.43 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.537 HG13 ' HG2' ' A' ' 75' ' ' LYS . 13.2 m -105.88 24.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.329 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -104.74 148.07 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.609 ' O ' HD12 ' A' ' 7' ' ' ILE . 6.2 m-20 -80.4 -43.3 21.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.4 mmm -57.76 -23.3 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.67 -45.09 88.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -57.17 -60.04 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -53.76 -46.57 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -53.13 -39.91 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -80.25 -19.94 45.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -53.68 -50.08 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.5 m-85 -80.51 -26.48 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.79 68.64 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -97.01 9.51 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.76 10.35 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.97 33.65 86.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.51 170.34 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.59 -13.11 63.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -129.75 165.37 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.469 HG13 HG12 ' A' ' 54' ' ' ILE . 21.2 pt -131.13 137.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.5 t -56.08 121.92 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.46 -14.42 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.633 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -81.12 -45.77 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.38 -24.98 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.862 HD13 ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -60.96 -61.79 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.862 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -54.19 -35.43 62.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.94 -19.91 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.48 -34.34 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD12 HG11 ' A' ' 39' ' ' VAL . 9.8 mt -51.84 -24.84 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.27 -33.44 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -80.67 -26.26 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.2 mm? -74.4 -6.45 48.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.31 10.19 64.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.43 131.78 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -101.12 22.25 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -130.31 19.12 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.78 -25.13 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.38 -33.33 28.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -80.55 -32.23 36.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.502 HG11 HD12 ' A' ' 28' ' ' LEU . 11.4 p -70.19 -32.64 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.4 tt0 -60.04 -39.05 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -84.0 -20.08 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mmt -80.53 -46.58 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.472 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.73 -24.78 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.33 64.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.85 -46.13 59.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.421 HG22 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -69.28 -30.36 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' OD2' HD21 ' A' ' 21' ' ' LEU . 39.7 t0 -76.47 110.19 10.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.01 -16.62 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.48 0.98 37.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 34.29 11.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.77 169.06 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.47 48.53 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.458 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -165.77 150.03 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.63 ' CG2' HD23 ' A' ' 21' ' ' LEU . 30.8 pt -142.51 141.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.81 -168.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.14 -41.01 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -39.11 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.3 -56.96 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -55.76 -37.98 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 mm -66.46 -46.23 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.421 ' CB ' HG22 ' A' ' 46' ' ' ILE . 4.8 m -49.3 -27.52 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.6 t80 -68.41 -41.6 80.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.2 t -77.8 -44.69 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -22.28 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.35 -18.2 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 48.93 55.06 17.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.0 Cg_endo -69.82 -29.3 23.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.1 5.81 23.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.8 mm? -101.36 -58.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.37 -19.17 63.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -48.21 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -84.26 -26.77 28.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 69' ' ' LEU . 42.4 t -67.78 -57.12 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.8 -21.47 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -65.44 -28.69 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.421 HG13 ' HG2' ' A' ' 75' ' ' LYS . 6.1 m -108.42 21.93 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.81 171.58 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.645 ' O ' HD12 ' A' ' 7' ' ' ILE . 77.0 m-20 -70.68 -54.81 10.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.8 mmm -51.32 -30.38 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -60.37 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -52.76 -46.39 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' O ' HG21 ' A' ' 19' ' ' ILE . 75.0 t80 -52.84 -38.6 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -81.34 -19.85 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.426 HH22 HD11 ' A' ' 31' ' ' LEU . 17.4 ttt180 -54.66 -49.77 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CE2' HD23 ' A' ' 24' ' ' LEU . 9.6 m-30 -84.48 -17.99 37.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -82.56 57.09 3.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -96.94 9.2 42.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -20.05 18.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.8 15.76 38.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.29 175.71 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.29 13.76 66.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -146.48 170.02 17.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.746 0.308 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.46 HG13 HG12 ' A' ' 54' ' ' ILE . 21.0 pt -133.9 138.46 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -56.98 121.71 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.668 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -85.66 -16.39 39.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.642 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.4 m -81.55 -45.0 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.76 -26.87 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -61.68 -61.74 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.86 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.25 -36.48 61.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.76 -20.84 48.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.08 -28.88 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.781 HD12 HG11 ' A' ' 39' ' ' VAL . 10.1 mt -51.75 -24.92 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -62.16 -34.9 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.1 t -77.15 -25.67 52.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD11 HH22 ' A' ' 10' ' ' ARG . 3.1 mm? -78.93 -2.7 41.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.71 10.1 67.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.41 127.57 32.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -97.06 18.01 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 m -119.16 30.62 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.4 -27.11 68.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.13 -31.69 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -83.88 -28.15 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.781 HG11 HD12 ' A' ' 28' ' ' LEU . 9.5 p -75.69 -35.15 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -55.89 -41.05 73.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -78.33 -20.86 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.6 mmt -79.64 -51.06 9.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -24.19 28.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.94 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.78 -46.94 50.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -67.02 -29.97 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OD2' HD21 ' A' ' 21' ' ' LEU . 38.1 t0 -74.51 110.64 8.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -94.65 -15.38 24.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 1.12 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.7 34.71 10.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -105.0 169.73 8.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.19 46.12 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -165.65 149.42 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.668 ' CG2' HD23 ' A' ' 21' ' ' LEU . 33.7 pt -138.84 141.36 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.9 175.18 6.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.58 -41.84 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -39.69 94.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.62 -55.0 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.3 -37.24 69.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.94 -47.52 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.3 t -47.69 -28.04 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.36 -45.43 76.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.3 t -75.1 -44.74 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -24.15 52.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.12 -19.16 40.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.9 m-80 47.71 55.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.621 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.73 -27.39 26.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.396 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 8.7 22.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.9 mm? -101.49 -59.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.02 -24.35 53.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -50.03 -46.12 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -84.63 -28.27 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.3 t -67.19 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.7 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -31.31 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.63 -16.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.767 0.317 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -127.26 137.55 52.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.66 ' O ' HD12 ' A' ' 7' ' ' ILE . 52.3 m-20 -115.94 -31.15 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.0 mmm -52.77 -28.83 24.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.63 -34.66 77.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -66.09 -54.52 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -59.87 -44.08 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -53.01 -38.23 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -82.0 -19.57 40.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -54.43 -44.33 72.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.629 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.4 m-30 -86.16 -35.02 20.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.87 131.77 51.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -76.26 -21.52 56.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -115.74 -20.16 10.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.48 5.89 61.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.49 159.86 44.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.15 -96.97 1.34 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -154.66 170.61 21.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.449 HD12 ' HD2' ' A' ' 11' ' ' PHE . 50.1 pt -140.38 144.26 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.71 125.89 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -89.51 -16.13 31.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.8 m -81.58 -43.98 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.41 -25.56 63.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.06 -62.09 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.87 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.87 -35.02 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.0 -19.29 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' O ' HG22 ' A' ' 30' ' ' THR . . . -88.85 -33.75 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 HG11 ' A' ' 39' ' ' VAL . 9.3 mt -50.82 -40.01 54.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -55.75 -32.58 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -70.29 -24.3 63.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -86.14 -3.58 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.27 -7.76 58.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.34 129.97 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.944 0.402 . . . . 0.0 110.828 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 t -102.03 27.64 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -136.74 18.44 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.56 -25.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.99 -30.53 28.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' A' ' 69' ' ' LEU . 14.5 tt0 -83.23 -28.92 28.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -74.01 -33.67 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.74 -41.05 81.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -79.03 -20.88 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmt -79.95 -50.41 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -24.46 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.6 -46.64 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.12 -31.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.544 ' OD2' HD21 ' A' ' 21' ' ' LEU . 38.9 t0 -74.11 111.71 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -95.13 -17.08 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.91 1.73 34.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.08 32.36 9.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -102.7 170.1 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -84.42 42.17 3.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 55.3 m-85 -161.2 145.25 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.792 HG22 ' OE1' ' A' ' 58' ' ' GLU . 25.6 pt -137.04 141.55 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.34 176.51 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -50.86 -44.59 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -39.49 94.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.792 ' OE1' HG22 ' A' ' 54' ' ' ILE . 34.5 mt-10 -68.31 -56.34 8.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -57.57 -37.98 74.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.68 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -47.72 -27.85 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -65.97 -45.71 80.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.01 -44.56 47.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -23.52 49.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.11 -19.11 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.45 54.74 16.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.646 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.74 -27.94 25.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.5 9.97 22.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.0 mm? -101.34 -60.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mmt -59.99 -20.88 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -50.57 -47.49 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -84.77 -28.16 26.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 69' ' ' LEU . 43.3 t -66.62 -60.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.12 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -29.73 70.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.77 -15.28 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -126.97 152.12 47.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.622 ' O ' HD12 ' A' ' 7' ' ' ILE . 9.0 m-20 -99.18 -37.0 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.71 -27.28 27.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.24 -49.05 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -51.65 -59.02 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -54.95 -46.83 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.454 ' O ' HG21 ' A' ' 19' ' ' ILE . 45.9 t80 -52.36 -38.51 58.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -83.3 -19.74 35.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -53.74 -48.0 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' CE2' HD23 ' A' ' 24' ' ' LEU . 12.5 m-30 -83.09 -36.05 25.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.56 130.14 45.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -74.65 -22.48 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 -16.62 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.59 0.77 83.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.98 156.79 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.02 -98.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -154.18 167.35 30.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.738 0.304 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG21 ' O ' ' A' ' 8' ' ' PHE . 32.7 pt -135.47 138.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -56.5 123.32 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -87.47 -16.32 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.641 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.9 m -81.57 -44.09 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.37 -26.22 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.32 -61.77 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.86 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.33 -35.47 60.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -80.1 -20.19 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.24 -32.28 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD12 HG11 ' A' ' 39' ' ' VAL . 9.4 mt -51.45 -25.0 5.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -59.23 -33.51 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -78.14 -26.29 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.36 -4.91 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.1 8.99 66.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 130.72 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.888 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -101.13 22.84 11.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.4 m -130.4 19.88 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.15 -26.2 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.45 -30.78 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -82.77 -30.47 28.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG11 HD12 ' A' ' 28' ' ' LEU . 12.2 p -72.58 -33.94 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.8 -41.57 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -79.95 -20.8 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.2 mmt -78.21 -50.72 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -24.18 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.68 -21.2 64.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.69 -46.49 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG22 ' CB ' ' A' ' 61' ' ' SER . 36.0 pt -68.25 -30.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 21' ' ' LEU . 40.2 t0 -75.79 110.94 10.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -95.28 -16.83 22.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.87 1.69 37.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 32.25 9.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.547 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -103.46 169.03 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.51 47.81 3.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -166.1 146.41 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.793 HG22 ' OE1' ' A' ' 58' ' ' GLU . 20.5 pt -138.34 137.26 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.29 -169.81 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -63.95 -40.8 97.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -37.35 85.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.793 ' OE1' HG22 ' A' ' 54' ' ' ILE . 39.9 mt-10 -71.1 -55.86 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -56.62 -37.09 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mm -67.04 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.405 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.7 m -48.29 -27.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.1 t80 -67.67 -44.04 78.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.0 t -76.09 -44.46 38.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.72 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.06 -18.51 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.7 m-80 47.91 55.08 16.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.78 -27.71 26.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.52 8.49 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.628 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.1 mm? -101.78 -58.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -61.47 -18.99 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -50.5 -48.84 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.03 -33.78 24.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.7 t -58.54 -53.99 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.52 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -71.15 -29.85 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.52 HG13 ' HG2' ' A' ' 75' ' ' LYS . 11.5 m -104.66 21.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -102.98 137.96 40.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.631 ' O ' HD12 ' A' ' 7' ' ' ILE . 17.1 m-20 -126.12 -43.87 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.7 mmm -56.0 -25.55 44.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.28 -42.55 93.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -59.54 -60.84 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -52.47 -48.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -52.01 -41.92 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -80.37 -19.86 45.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -53.6 -54.71 33.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.684 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.7 m-30 -75.58 -23.16 56.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -79.42 67.01 5.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -96.67 9.52 41.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.54 9.6 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.33 33.68 86.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -97.24 166.92 11.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.345 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.06 -12.75 76.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -132.65 167.99 19.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.311 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.41 HG13 HG12 ' A' ' 54' ' ' ILE . 19.1 pt -130.23 136.62 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -53.29 119.03 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.89 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.92 -15.83 37.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.669 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 m -81.52 -42.14 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.92 -25.18 61.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.26 -61.77 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.867 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.95 -34.35 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.8 -19.89 43.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.12 -34.19 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -51.19 -52.15 47.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -48.89 -37.69 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.577 HG22 HD22 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -64.54 -39.68 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD22 HG22 ' A' ' 30' ' ' THR . 3.2 mm? -69.86 -5.15 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.45 -8.38 34.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 137.92 42.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.837 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -110.51 26.8 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.8 p -137.04 18.9 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -55.46 -24.54 31.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -82.26 -31.78 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.64 -31.57 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 36' ' ' ALA . 11.7 p -71.72 -33.11 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -59.91 -40.15 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -81.09 -20.51 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mmt -80.03 -48.49 13.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -22.61 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.86 66.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.03 -45.18 35.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 62' ' ' PHE . 38.5 pt -70.95 -32.95 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 40.6 t0 -79.9 109.44 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -97.0 -16.68 20.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.33 3.0 45.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.04 33.0 6.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.86 167.73 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -86.16 52.41 4.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -166.25 150.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.89 ' CG2' HD23 ' A' ' 21' ' ' LEU . 38.8 pt -145.76 140.76 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.01 -169.65 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.1 -41.3 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -40.08 88.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' HG22 ' A' ' 54' ' ' ILE . 22.6 mt-10 -67.45 -56.35 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.14 -39.78 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mm -65.25 -46.6 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' HG22 ' A' ' 46' ' ' ILE . 16.2 t -48.92 -26.8 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.3 t80 -69.57 -43.83 72.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 52.9 t -75.75 -43.69 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -24.19 53.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.78 45.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 32.1 m-80 48.83 54.83 16.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -26.26 27.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.87 10.94 27.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.647 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.8 mm? -101.66 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -58.8 -23.6 60.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -48.7 -45.33 39.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.01 -27.98 26.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.0 -62.14 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.09 -25.11 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -62.05 -30.92 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.581 HG13 ' HG2' ' A' ' 75' ' ' LYS . 17.4 m -106.64 23.59 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.777 0.322 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -73.27 162.89 28.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.1 m-20 -84.36 -32.31 24.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.9 mmm -57.13 -23.98 50.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.94 -48.98 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -51.11 -59.41 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.5 mp -53.99 -47.85 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.66 -38.98 64.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -79.85 -19.75 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -50.94 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CE2' HD23 ' A' ' 24' ' ' LEU . 7.4 m-85 -83.12 -1.99 54.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -77.24 62.79 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 13' ' ' THR . 3.3 m -93.04 9.34 36.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -19.8 10.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.48 76.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -63.83 175.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.76 13.15 68.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.535 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -143.34 166.55 24.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 pt -134.66 138.31 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -55.55 122.47 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.91 -16.39 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.637 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.2 m -81.35 -45.51 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.31 -26.52 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.63 -61.63 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.865 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -79.46 -20.29 47.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -31.72 20.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.65 -25.05 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -59.39 -33.51 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -75.6 -26.88 58.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 30' ' ' THR . 3.1 mm? -77.88 -3.67 42.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.09 9.8 69.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 131.32 44.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.947 0.403 . . . . 0.0 110.86 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 23.63 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.6 m -132.33 18.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.97 -25.15 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.62 -32.79 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -81.13 -31.2 34.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG11 HD12 ' A' ' 28' ' ' LEU . 11.7 p -71.49 -33.97 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.59 -40.18 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -82.32 -20.53 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.7 mmt -78.42 -48.99 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -24.09 31.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -21.42 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.44 -46.53 54.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -68.56 -30.63 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.498 ' OD2' HD21 ' A' ' 21' ' ' LEU . 41.4 t0 -76.25 110.4 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.3 t -95.36 -17.12 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.66 1.87 41.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.93 32.7 9.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.32 169.05 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.344 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.91 48.83 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -166.17 146.13 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.785 HG22 ' OE1' ' A' ' 58' ' ' GLU . 16.0 pt -138.92 136.21 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -169.56 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.77 -41.54 97.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -37.15 85.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.785 ' OE1' HG22 ' A' ' 54' ' ' ILE . 36.7 mt-10 -70.33 -56.67 6.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.45 -37.12 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.03 -47.49 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -48.77 -27.71 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.3 t80 -66.78 -42.61 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.73 -44.44 33.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -23.02 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.38 -18.63 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 12.5 m-80 48.2 55.0 16.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.587 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.77 -29.09 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.09 9.14 20.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -101.85 -58.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mmt -64.12 -19.76 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mmpm? -50.74 -47.65 59.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -84.32 -33.85 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 69' ' ' LEU . 48.6 t -58.8 -54.4 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.51 63.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -71.24 -31.91 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.5 HG13 ' HG2' ' A' ' 75' ' ' LYS . 18.9 m -95.48 13.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.27 164.82 13.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.7 m-20 -113.51 -59.57 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.4 mmm -54.71 -26.17 32.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.8 -45.98 90.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -56.3 -60.88 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.4 mp -51.47 -47.47 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -52.79 -41.55 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -79.69 -20.09 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -53.99 -53.07 58.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CE2' HD23 ' A' ' 24' ' ' LEU . 10.4 m-85 -78.74 -5.34 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.14 63.23 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -92.95 9.26 36.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -19.04 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.3 -9.54 72.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.28 175.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.12 20.73 46.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -152.75 165.4 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.747 0.308 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -131.09 138.09 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -60.01 124.38 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.91 -14.64 41.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.642 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.6 p -81.35 -46.42 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -67.34 -26.97 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.3 -62.24 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.869 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.3 t -53.51 -36.81 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -78.9 -20.01 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.25 -33.06 19.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD12 HG11 ' A' ' 39' ' ' VAL . 10.0 mt -52.26 -24.88 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -32.33 72.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.2 t -79.1 -25.57 43.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.38 -4.37 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 4.99 65.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 129.74 40.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -101.23 25.61 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -132.56 19.93 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.24 -25.8 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.53 -31.11 29.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.63 -30.08 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.554 HG11 HD12 ' A' ' 28' ' ' LEU . 11.9 p -72.99 -33.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.1 -43.28 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.86 -20.73 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.73 -51.43 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -24.18 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.49 -20.67 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.65 -45.4 59.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG22 ' CB ' ' A' ' 61' ' ' SER . 24.9 pt -68.13 -34.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.639 ' OD2' HD21 ' A' ' 21' ' ' LEU . 34.8 t0 -67.49 102.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -87.49 -16.44 34.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.54 0.82 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.91 34.6 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -103.01 170.34 8.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 40.93 2.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -163.7 150.67 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.775 ' CG2' HD23 ' A' ' 21' ' ' LEU . 12.9 pt -141.53 136.15 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -174.31 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.24 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -40.35 94.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 42.1 mt-10 -70.34 -53.42 16.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.32 -35.44 75.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.74 -46.46 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.5 m -47.03 -28.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.401 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -63.8 -45.69 88.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.94 -44.84 46.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -24.31 53.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.86 -19.39 41.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 29.8 m-80 47.97 55.43 16.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.81 -25.34 28.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.0 10.0 27.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.03 -59.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.401 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.7 mmt -60.84 -22.23 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -50.5 -45.81 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.02 -25.81 27.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.5 t -70.79 -63.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.89 -27.21 12.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -31.71 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 m -108.52 24.05 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.72 179.57 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.601 ' O ' HD12 ' A' ' 7' ' ' ILE . 75.4 m-20 -96.5 -54.18 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.8 -23.87 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.7 -42.22 86.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -58.75 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -56.89 -48.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.23 -38.79 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -82.77 -19.82 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -54.38 -52.12 62.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.4 m-30 -80.26 -3.2 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -90.17 46.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -97.3 9.35 42.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -100.66 -19.98 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.27 23.25 9.77 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -117.15 133.44 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.59 -30.01 26.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -99.15 172.37 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.7 0.286 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 pt -133.73 137.67 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -57.63 122.44 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.28 -16.82 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.647 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.1 p -81.76 -43.85 17.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.94 -26.19 64.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.9 -62.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.38 -35.84 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.26 -20.36 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -32.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 39' ' ' VAL . 9.3 mt -51.74 -24.7 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.01 -33.61 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -79.2 -25.98 42.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.76 -5.14 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.13 10.91 61.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.45 130.42 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 110.848 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -101.17 23.39 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -131.05 19.99 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.38 -25.99 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.03 -30.13 28.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 69' ' ' LEU . 56.7 tt0 -83.87 -28.1 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -75.01 -34.04 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.17 -40.6 77.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.86 -20.75 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mmt -79.76 -51.05 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -24.68 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.28 -20.88 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -72.41 -47.25 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -67.05 -30.93 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.541 ' OD2' HD21 ' A' ' 21' ' ' LEU . 40.2 t0 -74.55 111.14 9.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -95.22 -16.76 22.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.29 1.63 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.26 32.81 10.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -104.06 169.55 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.46 47.66 3.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -165.89 147.04 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 ' OE1' ' A' ' 58' ' ' GLU . 31.7 pt -138.45 141.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.97 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -48.6 -42.13 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -39.46 93.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.759 ' OE1' HG22 ' A' ' 54' ' ' ILE . 35.9 mt-10 -69.59 -56.29 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -55.61 -39.05 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.5 -47.38 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -48.05 -27.33 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.9 OUTLIER -66.68 -45.69 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.9 t -74.37 -44.36 52.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -57.2 -26.62 60.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.65 56.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.455 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.3 m-80 49.59 53.58 14.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.674 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -32.06 19.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.345 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.57 11.56 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -101.89 -59.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.7 mmt -61.1 -19.28 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.84 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.75 -28.63 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -66.01 -59.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.2 -21.45 33.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -65.78 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.6 m -103.74 24.53 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.766 0.317 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -62.66 164.22 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.695 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.2 p-10 -101.95 -35.89 8.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 9.5 mmt -46.23 -44.78 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -45.83 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -55.11 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -56.75 -49.2 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -52.53 -40.82 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -79.48 -20.01 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -59.39 4.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 9.6 m-85 -73.06 -23.05 60.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.31 60.19 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -97.01 9.24 42.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.33 -19.91 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.21 19.28 33.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.41 171.7 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.02 7.13 81.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -145.13 169.83 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.3 pt -133.76 138.33 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.9 122.76 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.18 -16.23 38.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.651 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.5 p -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -69.15 -25.64 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.31 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.842 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -53.95 -34.62 60.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.24 -20.22 45.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.45 -33.83 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.31 -25.44 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -57.55 -33.86 68.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -81.2 -26.31 36.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.478 HD12 HG11 ' A' ' 76' ' ' VAL . 3.1 mm? -73.27 -7.81 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.38 0.77 62.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.66 131.26 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -101.62 20.76 15.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.3 m -128.66 19.75 6.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.95 -25.97 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.62 -31.21 28.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.64 -30.05 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.451 HG11 HD12 ' A' ' 28' ' ' LEU . 11.9 p -73.1 -33.37 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.3 tt0 -57.82 -38.75 76.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.46 -20.48 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -79.63 -48.14 14.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -54.81 -25.04 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.93 -47.97 48.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.7 pt -67.02 -31.13 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.494 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.1 t0 -77.22 110.73 12.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.89 -16.85 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.24 1.25 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.17 33.8 11.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 169.06 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.09 48.71 4.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -165.82 148.0 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.768 HG22 ' OE1' ' A' ' 58' ' ' GLU . 14.0 pt -139.02 136.3 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.77 175.06 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.79 -42.59 47.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -40.28 91.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.768 ' OE1' HG22 ' A' ' 54' ' ' ILE . 35.0 mt-10 -65.99 -57.14 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.61 -39.49 73.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.35 -46.49 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -48.15 -28.29 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.2 t80 -65.48 -44.21 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.8 t -75.38 -44.26 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -23.72 48.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.24 -18.75 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 15.2 m-80 47.76 55.01 16.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.655 0.741 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.74 -28.33 25.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.248 . . . . 0.0 112.307 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.76 8.91 21.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.8 mm? -102.13 -60.48 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mmt -53.06 -29.63 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -46.57 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -85.52 -27.63 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 69' ' ' LEU . 40.3 t -66.65 -60.51 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.95 -20.76 40.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -32.37 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG11 HD12 ' A' ' 31' ' ' LEU . 3.6 t -78.29 -16.92 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.46 -29.13 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.488 ' O ' HD12 ' A' ' 7' ' ' ILE . 17.2 m-20 -57.0 -56.39 22.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.9 mmm -52.06 -29.2 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.49 -41.09 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -58.0 -38.47 76.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 7' ' ' ILE . 5.0 mp -78.97 -44.45 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -76.0 -20.98 57.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -52.75 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.6 m-85 -75.45 -8.68 57.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.35 60.53 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.1 9.58 39.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.32 -16.85 12.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.56 -9.36 77.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -67.3 174.35 3.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.12 24.63 30.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -152.18 163.7 38.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.723 0.297 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.05 138.85 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -59.92 122.51 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.751 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -84.89 -16.49 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.9 m -81.9 -46.41 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.68 -25.16 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.94 -61.74 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -53.68 -35.53 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.18 -20.6 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.25 -32.93 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD12 HG11 ' A' ' 39' ' ' VAL . 9.6 mt -51.47 -24.9 5.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -58.9 -33.01 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -77.45 -26.78 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 30' ' ' THR . 3.2 mm? -76.77 -5.03 46.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.28 10.11 68.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 133.15 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.967 0.413 . . . . 0.0 110.844 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.14 22.68 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.8 m -133.67 18.64 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.38 -25.82 17.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.67 -30.75 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -82.94 -30.02 28.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG11 HD12 ' A' ' 28' ' ' LEU . 12.0 p -72.99 -33.1 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.1 tt0 -57.99 -38.82 76.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -83.33 -20.49 34.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.2 mmt -79.78 -47.99 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.468 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.16 -25.41 32.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.46 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -72.04 -46.53 56.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 pt -67.43 -33.32 61.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.617 ' OD2' HD21 ' A' ' 21' ' ' LEU . 34.9 t0 -70.22 106.93 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 t -90.73 -17.57 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.22 1.33 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.97 34.3 11.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -102.0 170.22 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.3 40.51 2.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.52 150.5 12.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.751 ' CG2' HD23 ' A' ' 21' ' ' LEU . 14.2 pt -141.18 136.28 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.93 174.92 8.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -40.96 63.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -40.86 96.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 38.4 mt-10 -70.78 -53.26 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -57.46 -37.45 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.27 -45.57 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 t -48.22 -26.94 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -66.51 -45.16 80.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.35 -44.61 44.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.19 -23.87 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.26 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.429 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 8.2 m-80 48.16 55.52 17.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 -24.6 29.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.92 10.57 28.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.73 -59.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.909 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.405 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -60.85 -26.09 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -49.34 -43.17 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.37 -25.06 27.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 69' ' ' LEU . 41.2 t -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.42 -26.53 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.576 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.6 -32.31 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.576 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.3 m -105.58 23.99 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.844 0.354 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -108.54 150.2 27.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.665 ' O ' HD12 ' A' ' 7' ' ' ILE . 74.9 m-20 -77.66 -53.37 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.803 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.8 mmm -51.23 -30.04 16.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.56 -43.3 90.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -56.99 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -52.82 -47.79 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 19' ' ' ILE . 70.9 t80 -52.61 -37.92 59.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -83.14 -19.69 36.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -54.37 -50.05 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 11.6 m-30 -82.16 -17.75 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -86.76 52.65 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -97.14 9.39 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -94.21 -20.58 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.26 24.4 8.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -108.37 176.32 5.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.9 -2.65 62.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -130.64 173.26 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 20.7 pt -135.19 137.53 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.16 120.35 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.851 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -86.61 -15.41 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.68 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.5 m -81.51 -42.37 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.65 -25.54 62.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.34 -62.07 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.856 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.47 -34.34 57.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.31 -19.92 41.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.7 -34.22 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.34 -24.76 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -58.81 -33.54 70.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -79.56 -26.6 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.06 -5.63 45.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.57 6.53 67.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 131.84 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.409 . . . . 0.0 110.838 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.57 26.4 7.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -134.6 18.11 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.87 17.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.44 -31.6 33.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -81.08 -33.59 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.01 -31.67 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.81 -39.07 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -82.96 -20.19 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.1 mmt -79.28 -49.06 13.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -24.77 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.8 -20.7 63.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -74.3 -48.29 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' A' ' 61' ' ' SER . 40.2 pt -69.35 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' CG ' HD21 ' A' ' 21' ' ' LEU . 12.9 t70 -82.66 106.91 14.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 t -98.94 -18.97 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.22 3.69 54.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.1 31.01 7.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -105.63 167.83 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -88.13 51.04 3.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -163.28 148.97 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.851 ' CG2' HD23 ' A' ' 21' ' ' LEU . 42.5 pt -140.29 138.54 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.27 175.83 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -49.07 -42.03 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -39.39 86.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -68.06 -55.22 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.95 -38.42 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -65.42 -47.3 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.454 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.5 m -49.09 -27.0 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.2 t80 -69.49 -43.62 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.84 -43.9 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -23.9 51.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.11 -18.96 44.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.6 m-80 48.98 54.42 16.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.4 Cg_endo -69.72 -28.08 25.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.386 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.85 10.79 24.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.5 mm? -101.42 -59.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -59.39 -22.85 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -49.47 -45.97 47.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -84.91 -27.75 26.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.69 -26.0 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.5 -16.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.765 0.316 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.81 154.1 47.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.649 ' O ' HD12 ' A' ' 7' ' ' ILE . 20.3 m-20 -121.98 -47.48 2.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 38.1 mmm -55.94 -24.92 40.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.48 -38.84 85.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -63.49 -61.37 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.5 mp -53.21 -48.02 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 19' ' ' ILE . 82.1 t80 -52.47 -38.34 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -83.39 -19.67 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -52.17 61.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 13.8 m-30 -78.49 -5.5 52.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -88.48 49.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -97.2 8.62 44.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -100.58 -19.95 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.66 25.35 9.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.545 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -115.61 139.78 49.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.45 -22.8 39.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -108.38 173.71 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 20.8 pt -132.8 142.02 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.5 t -61.92 123.35 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.857 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -89.53 -15.81 32.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.677 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.1 m -81.31 -42.15 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.29 -25.14 61.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.882 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -62.8 -62.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.882 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -53.56 -34.18 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -81.25 -20.03 41.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.74 -34.09 18.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.42 -24.8 5.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.59 -33.2 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -81.33 -26.23 35.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD12 HG11 ' A' ' 76' ' ' VAL . 3.5 mm? -74.1 -7.19 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.34 8.06 61.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.29 131.75 43.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -102.7 26.44 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 m -134.05 18.57 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.59 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 -31.46 32.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -81.2 -33.2 33.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.57 -32.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.5 -40.47 91.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -81.48 -19.64 41.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mmt -80.86 -47.24 14.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -23.59 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.68 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.2 -46.29 51.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.3 pt -71.96 -32.38 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' CG ' HD21 ' A' ' 21' ' ' LEU . 15.9 t70 -80.57 105.75 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.6 t -97.61 -20.38 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.62 3.3 53.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.24 29.22 9.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -106.33 167.49 9.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -87.06 48.12 3.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 88.0 m-85 -158.82 145.69 17.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.857 ' CG2' HD23 ' A' ' 21' ' ' LEU . 42.5 pt -136.39 138.85 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.46 174.63 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -48.76 -39.48 25.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -38.7 78.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.73 -55.32 10.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.07 -37.83 69.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mm -66.72 -46.14 86.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 46' ' ' ILE . 18.1 t -49.38 -27.51 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.443 ' HB2' HG21 ' A' ' 46' ' ' ILE . 1.5 t80 -69.86 -41.69 74.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.86 -43.68 35.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -22.43 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.7 -17.83 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.0 m-80 48.49 54.11 15.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.59 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.79 -29.07 24.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.0 6.13 22.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.9 mm? -101.7 -56.93 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HA ' ' HB ' ' A' ' 73' ' ' VAL . 7.9 mmt -59.78 -18.09 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.42 -51.23 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.3 p30 -83.55 -29.67 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 69' ' ' LEU . 41.9 t -63.96 -50.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -16.66 52.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -26.58 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 31' ' ' LEU . 2.4 t -89.25 11.86 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.768 0.318 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -86.66 174.75 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.691 ' O ' HD12 ' A' ' 7' ' ' ILE . 24.0 m-20 -96.1 -44.43 7.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.8 mmt -50.23 -31.95 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -65.37 -39.09 91.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -63.08 -61.07 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -54.24 -49.12 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.454 ' O ' HG21 ' A' ' 19' ' ' ILE . 76.5 t80 -52.27 -39.31 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -82.13 -19.72 39.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -53.86 -54.75 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.661 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 13.5 m-30 -75.0 -24.95 58.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.31 64.14 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -97.12 9.92 40.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.2 11.67 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.07 33.55 86.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.448 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -100.97 172.26 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.73 7.63 74.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -148.78 172.81 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.292 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG21 ' O ' ' A' ' 8' ' ' PHE . 36.3 pt -134.13 142.41 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.1 t -65.29 127.33 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.776 HD23 HG23 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -90.74 -15.73 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.661 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 m -79.16 -43.54 23.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.77 -25.23 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.61 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.874 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -53.56 -33.08 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.61 -20.01 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.67 -32.49 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.431 HD12 HG11 ' A' ' 39' ' ' VAL . 9.2 mt -51.46 -24.96 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.13 -33.97 72.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.2 t -79.99 -25.75 40.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.48 -5.67 46.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 4.68 63.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.38 129.78 39.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.406 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -102.17 26.46 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -130.49 19.99 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.87 -26.95 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.27 -31.33 30.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -81.52 -31.19 32.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG11 HD12 ' A' ' 28' ' ' LEU . 12.3 p -71.63 -33.34 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -60.1 -40.09 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -80.73 -19.93 43.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -79.89 -48.22 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -23.09 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.62 -20.64 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.62 -48.85 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.8 pt -69.94 -30.55 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.1 t70 -89.02 109.43 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.2 5.89 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.39 30.41 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.13 171.75 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 53' ' ' PHE . . . -94.67 45.12 2.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.526 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 97.9 m-85 -159.75 145.68 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.776 HG23 HD23 ' A' ' 21' ' ' LEU . 19.8 pt -137.92 140.39 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.63 -179.26 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.79 -45.33 63.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -41.51 96.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.714 ' OE1' HG22 ' A' ' 54' ' ' ILE . 21.4 mt-10 -64.82 -57.71 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.0 -39.53 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mm -64.44 -46.03 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.476 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.2 m -50.19 -26.84 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 2.2 t80 -69.78 -40.18 76.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.46 -43.92 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.24 -20.7 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.83 -17.58 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 4.8 m-80 48.9 55.32 17.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.594 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.79 -28.96 24.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.68 6.34 23.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.0 mm? -101.54 -58.47 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HA ' ' HB ' ' A' ' 73' ' ' VAL . 7.5 mmt -63.31 -18.71 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -50.2 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -83.7 -30.56 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 69' ' ' LEU . 46.4 t -60.6 -51.8 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.29 -16.77 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.587 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -75.38 -27.96 59.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.587 HG13 ' HG2' ' A' ' 75' ' ' LYS . 17.8 m -107.17 18.35 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -153.37 160.11 42.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.714 ' O ' HD12 ' A' ' 7' ' ' ILE . 48.7 m-20 -66.97 -25.83 66.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.553 ' HG2' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -47.11 -35.53 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -63.37 -45.64 90.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -55.08 -48.64 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -53.01 -39.11 62.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -80.39 -19.94 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -55.05 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 19' ' ' ILE . 9.3 m-85 -73.98 -21.22 60.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -76.36 66.81 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -95.98 9.57 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.156 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -20.13 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.6 66.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -62.16 175.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.75 17.83 58.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -150.63 165.13 34.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.333 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.469 HD12 ' HD2' ' A' ' 11' ' ' PHE . 31.2 pt -133.04 137.24 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 4.9 t -56.57 123.76 15.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.97 -15.3 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.9 m -79.45 -46.38 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -66.75 -25.7 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.87 -61.91 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.852 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -54.23 -35.53 62.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.27 -20.25 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.03 -36.57 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 39' ' ' VAL . 10.3 mt -50.84 -51.09 54.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -53.27 -41.89 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -24.93 66.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.14 -13.11 48.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.26 -5.46 28.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.68 133.76 56.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.878 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -100.31 29.76 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 m -135.44 25.63 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.72 -25.32 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.33 -39.79 20.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.71 -33.51 58.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 28' ' ' LEU . 7.6 p -68.69 -32.33 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 3.3 tt0 -62.43 -39.46 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.05 -20.21 35.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 mmt -82.21 -45.8 14.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.12 -24.99 28.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.36 -45.86 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.428 HG22 ' CB ' ' A' ' 61' ' ' SER . 37.5 pt -70.08 -30.13 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.6 t0 -79.73 110.0 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -95.95 -17.06 21.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.35 1.38 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.43 34.87 9.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.56 169.15 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.32 48.61 4.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 18.5 m-85 -165.96 148.02 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.789 HG22 ' OE1' ' A' ' 58' ' ' GLU . 12.6 pt -138.83 135.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.8 173.87 8.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.63 -39.85 37.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.17 85.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.789 ' OE1' HG22 ' A' ' 54' ' ' ILE . 38.2 mt-10 -68.29 -57.17 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.41 -38.8 69.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.553 HD13 ' HG2' ' A' ' 4' ' ' MET . 6.7 mm -65.83 -45.2 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 46' ' ' ILE . 4.0 m -49.82 -27.43 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.33 -40.06 77.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.93 -44.49 22.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -23.03 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.76 -17.86 49.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.424 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.4 m-80 49.18 55.36 17.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.74 -30.65 22.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.729 2.286 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.3 4.88 23.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -100.78 -57.66 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.356 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.7 mmt -60.33 -19.53 55.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -58.24 -48.15 81.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.09 -25.04 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 69' ' ' LEU . 44.7 t -69.81 -51.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.03 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -70.57 -26.93 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' A' ' 75' ' ' LYS . 15.6 m -105.68 27.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.779 0.323 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.56 149.71 41.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.688 ' O ' HD12 ' A' ' 7' ' ' ILE . 7.6 m-20 -113.19 -34.08 5.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.5 mmt -47.01 -43.83 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -50.62 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -51.07 -60.72 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -54.94 -47.77 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -52.61 -45.23 66.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -77.36 -20.24 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.82 -50.65 65.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.733 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.2 m-85 -82.01 -8.63 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -77.87 59.77 2.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -88.12 9.35 22.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -17.44 12.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.92 -9.16 73.22 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.26 175.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.93 20.55 46.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -152.47 166.03 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.4 HG13 HG13 ' A' ' 54' ' ' ILE . 27.9 pt -132.69 137.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 120.86 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD23 HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -82.51 -16.7 47.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.674 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.9 p -81.54 -45.66 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.52 -24.91 65.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.91 -61.83 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.6 t -54.1 -35.05 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.68 -20.14 47.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.534 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.57 -34.11 18.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD12 HG11 ' A' ' 39' ' ' VAL . 9.5 mt -51.58 -25.02 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -58.04 -33.56 69.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.5 t -78.21 -26.66 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.93 -5.33 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.07 5.56 73.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 133.02 53.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -102.29 23.48 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.0 p -134.33 18.68 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.18 -25.48 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.046 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.91 -31.99 27.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -81.88 -30.03 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 28' ' ' LEU . 11.6 p -72.66 -33.57 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.459 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.1 tt0 -57.81 -38.65 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.86 -20.87 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.1 mmt -79.12 -47.55 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.459 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -54.79 -25.89 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.51 -21.06 65.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.27 -47.46 49.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 62' ' ' PHE . 20.3 pt -67.02 -34.65 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.548 ' OD2' HD21 ' A' ' 21' ' ' LEU . 39.7 t0 -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -94.74 -14.96 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.29 0.35 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.32 35.46 14.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.73 169.41 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.43 42.73 3.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -163.92 150.33 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.715 HG23 HD23 ' A' ' 21' ' ' LEU . 3.3 pt -142.46 131.24 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -179.29 7.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.44 -45.24 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -42.54 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 36.1 mt-10 -67.64 -55.42 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.541 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.4 t80 -58.34 -36.96 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.24 -46.02 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -47.76 -27.36 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.1 t80 -64.84 -45.38 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.5 t -74.68 -44.36 50.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -25.1 57.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.62 -19.32 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 10.2 m-80 48.34 55.14 16.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.645 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -24.95 29.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.2 10.54 27.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.6 mm? -101.47 -59.75 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -60.15 -22.68 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -49.79 -46.06 50.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.86 -27.49 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.7 t -68.45 -62.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.72 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -30.44 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.3 -16.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.762 0.315 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -115.47 -176.31 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.686 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -130.4 -72.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.0 mmt -48.27 -41.6 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.51 -40.2 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 -62.03 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -56.71 -47.26 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -51.66 -41.14 61.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -81.05 -20.17 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -53.46 -42.99 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.623 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 10.6 m-30 -90.36 -28.28 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.1 68.69 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -96.9 9.56 41.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.5 10.51 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.14 33.55 86.19 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.76 165.94 12.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.05 1.81 86.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -146.47 169.13 19.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -132.94 137.92 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -55.31 122.51 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -86.25 -16.53 37.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 5.0 p -82.22 -43.63 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.67 -25.24 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.96 -62.31 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.855 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.96 -35.36 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -79.41 -19.85 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 30' ' ' THR . . . -88.01 -35.15 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.16 -25.05 8.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -62.82 -34.37 77.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.571 HG23 HD22 ' A' ' 31' ' ' LEU . 1.2 t -69.27 -26.73 64.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD22 HG23 ' A' ' 30' ' ' THR . 3.2 mm? -84.59 1.9 43.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.35 9.53 72.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 p -51.56 139.73 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -109.93 10.67 24.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -132.16 17.32 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.14 -26.11 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.25 -31.76 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -81.82 -31.48 31.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 36' ' ' ALA . 11.8 p -71.12 -32.59 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.2 tt0 -58.73 -38.84 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -84.14 -20.67 32.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.1 mmt -79.59 -47.0 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.446 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.38 -25.2 34.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -21.19 65.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.75 -47.96 50.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 pt -67.44 -30.44 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.499 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.7 t0 -77.24 110.9 12.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -95.71 -17.19 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.16 2.08 42.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.25 33.63 7.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -105.61 168.73 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -83.47 49.03 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.2 m-85 -166.25 148.33 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.765 HG22 ' OE1' ' A' ' 58' ' ' GLU . 15.0 pt -138.58 136.49 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.95 174.77 8.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.26 -40.74 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -39.18 85.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.765 ' OE1' HG22 ' A' ' 54' ' ' ILE . 38.3 mt-10 -67.69 -56.96 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -55.41 -39.58 70.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.93 -46.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -48.27 -27.35 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -66.76 -44.01 82.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.3 t -74.84 -43.73 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -25.93 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.48 -18.4 54.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 7.2 m-80 49.71 53.2 13.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.607 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 54.1 Cg_endo -69.74 -32.96 17.64 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.763 2.309 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.46 10.82 14.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.607 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 2.2 mm? -102.79 -58.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.6 -16.69 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -49.18 69.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.82 -30.08 26.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -62.24 -50.28 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.93 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -70.71 -27.8 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 75' ' ' LYS . 14.9 m -102.39 25.81 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 t70 75.85 -5.14 2.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 7' ' ' ILE . 6.9 p-10 -49.08 -50.44 36.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.401 ' SD ' HD13 ' A' ' 60' ' ' ILE . 8.4 mmt -46.43 -41.79 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -51.33 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -49.79 -61.73 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.1 mp -56.72 -47.28 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -52.67 -40.92 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -79.63 -20.09 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -51.41 64.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.669 ' CE2' HD23 ' A' ' 24' ' ' LEU . 8.8 m-85 -82.97 -6.15 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -75.63 68.44 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -94.73 9.07 40.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.67 -19.5 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.83 -9.52 73.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.67 176.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.68 22.8 31.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -152.14 169.4 22.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.712 0.291 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 pt -138.29 137.5 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -55.21 122.22 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -85.92 -16.12 39.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.649 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.8 m -81.82 -44.34 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -68.88 -25.87 64.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.862 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.29 -61.75 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.862 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.68 -36.11 61.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -78.76 -20.47 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.29 -33.94 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 HG11 ' A' ' 39' ' ' VAL . 9.1 mt -51.93 -24.69 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -33.07 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -81.0 -26.27 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.12 -7.2 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.73 6.34 63.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.97 131.89 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.85 22.41 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -131.37 19.71 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.15 -26.44 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -30.8 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.67 -31.02 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.475 HG11 HD12 ' A' ' 28' ' ' LEU . 11.8 p -72.03 -32.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.4 tt0 -59.07 -38.6 79.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -83.83 -20.81 32.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -79.69 -47.44 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.1 -24.89 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.39 -21.5 65.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.89 -47.51 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.1 pt -67.99 -29.69 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.483 ' OD2' HD21 ' A' ' 21' ' ' LEU . 42.6 t0 -79.71 111.43 16.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -96.23 -17.66 20.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.72 1.58 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.0 32.81 9.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.96 168.7 8.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -84.18 49.69 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -165.81 147.02 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 58' ' ' GLU . 14.3 pt -138.15 135.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.27 174.24 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -49.79 -40.29 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.64 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.776 ' OE1' HG22 ' A' ' 54' ' ' ILE . 33.5 mt-10 -68.22 -57.02 6.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -55.27 -38.95 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.401 HD13 ' SD ' ' A' ' 4' ' ' MET . 6.6 mm -66.25 -46.31 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -48.66 -27.14 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -67.01 -42.96 84.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.0 t -75.9 -44.03 42.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -23.58 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.68 -18.76 43.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.2 m-80 48.81 54.29 15.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.58 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.1 Cg_endo -69.83 -29.34 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.22 8.98 20.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.413 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.2 mm? -102.06 -58.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mmt -60.58 -23.35 64.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -50.93 -46.26 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.51 -31.4 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 69' ' ' LEU . 59.1 t -62.79 -59.0 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.17 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.519 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.74 -30.07 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 75' ' ' LYS . 11.5 m -104.59 22.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.92 166.97 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.611 ' O ' HD12 ' A' ' 7' ' ' ILE . 72.3 m-20 -71.2 -57.76 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.9 mmm -53.85 -27.33 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.78 -42.93 90.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -56.07 -50.42 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.8 mp -64.56 -48.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -52.19 -40.05 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -81.75 -19.86 40.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' NH2' HD21 ' A' ' 31' ' ' LEU . 26.7 ttt180 -53.74 -53.55 50.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' HD2' HD12 ' A' ' 19' ' ' ILE . 13.6 m-85 -74.35 -27.45 60.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.15 63.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -96.61 9.57 41.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.85 13.41 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.26 33.43 86.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -98.22 174.93 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.3 8.85 59.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -152.06 165.92 33.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.593 HD12 ' HD2' ' A' ' 11' ' ' PHE . 37.0 pt -129.47 138.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -59.19 124.93 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -86.12 -14.96 42.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.629 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.9 m -80.94 -46.9 14.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -66.93 -24.99 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -60.7 -62.09 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.874 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 t -53.84 -36.18 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.93 -20.28 49.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.529 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.32 -34.69 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD12 HG11 ' A' ' 39' ' ' VAL . 9.8 mt -52.13 -24.63 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -32.1 69.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.4 t -79.76 -26.56 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.416 HD21 ' NH2' ' A' ' 10' ' ' ARG . 3.4 mm? -76.04 -5.22 45.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.04 10.81 68.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 133.22 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -101.47 21.63 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 p -131.74 18.31 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.44 12.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.63 -32.81 31.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -80.47 -33.28 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG11 HD12 ' A' ' 28' ' ' LEU . 11.4 p -69.07 -30.93 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' HA ' ' HE2' ' A' ' 43' ' ' MET . 2.6 tt0 -62.99 -38.75 92.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -84.11 -20.12 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -82.79 -45.26 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.428 ' HE2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -55.23 -25.57 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.0 -21.58 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.34 -45.62 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.424 HG22 ' CB ' ' A' ' 61' ' ' SER . 22.4 pt -68.72 -34.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.593 ' OD2' HD21 ' A' ' 21' ' ' LEU . 36.1 t0 -70.99 108.02 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -92.31 -17.13 25.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.05 1.9 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.14 34.34 7.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.17 169.76 8.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.37 42.09 2.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -163.62 150.32 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.718 ' CG2' HD23 ' A' ' 21' ' ' LEU . 11.2 pt -140.97 135.0 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -174.22 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.51 -44.89 95.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 40.6 mt-10 -70.32 -53.2 17.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.2 t80 -59.85 -34.62 73.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.78 -43.98 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' HG22 ' A' ' 46' ' ' ILE . 3.2 m -49.43 -27.09 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' A' ' 46' ' ' ILE . 2.0 t80 -67.56 -40.89 84.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.0 t -78.56 -44.75 23.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -21.95 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.56 -18.01 46.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 24.5 m-80 49.73 54.98 16.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.643 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.74 -30.24 22.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.73 4.3 23.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -101.14 -57.54 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.2 mmt -58.55 -26.89 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -55.94 -45.85 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.28 -27.1 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 69' ' ' LEU . 61.7 t -69.25 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.91 -27.5 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -29.64 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.79 -16.01 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.796 0.332 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.36 146.75 33.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 7' ' ' ILE . 52.8 m-20 -125.69 -57.1 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.2 mmm -51.79 -29.37 18.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.57 -60.88 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.3 mp -51.71 -48.16 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -52.33 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -80.87 -19.97 43.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -55.63 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 12.2 m-30 -74.43 -23.03 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -76.46 66.62 2.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -96.41 9.31 41.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -19.67 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.75 -9.09 64.01 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.1 p30 -63.79 170.39 3.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.14 20.96 44.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -152.96 166.75 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.04 138.19 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.27 120.8 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.769 HD23 ' CG2' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -83.27 -16.68 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 21' ' ' LEU . 12.4 m -81.68 -45.63 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -67.91 -26.13 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.32 -61.55 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.852 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 t -53.77 -35.86 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -79.19 -20.13 49.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.35 -33.69 19.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.538 HD12 HG11 ' A' ' 39' ' ' VAL . 9.5 mt -51.64 -24.78 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.96 -33.39 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 27' ' ' ALA . 1.3 t -80.42 -26.24 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.47 -6.55 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.19 10.74 62.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.68 131.28 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.408 . . . . 0.0 110.821 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -100.58 21.97 12.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 m -130.81 19.92 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -53.1 -26.18 15.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.48 -30.94 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -82.65 -30.66 29.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.538 HG11 HD12 ' A' ' 28' ' ' LEU . 12.3 p -71.98 -33.35 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.64 -42.27 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.87 -20.94 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.0 mmt -79.0 -50.92 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -24.93 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -21.55 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -71.42 -46.01 61.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 pt -68.14 -33.82 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.623 ' OD2' HD21 ' A' ' 21' ' ' LEU . 36.3 t0 -68.03 103.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -89.21 -15.53 33.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.22 0.16 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.51 34.98 14.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.66 170.04 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.13 41.17 2.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -164.03 150.56 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.769 ' CG2' HD23 ' A' ' 21' ' ' LEU . 11.7 pt -141.17 135.94 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -174.99 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.88 -43.5 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' A' ' 54' ' ' ILE . 43.9 mt-10 -71.15 -50.9 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -62.6 -34.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.14 -46.94 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t -47.11 -28.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 0.8 OUTLIER -64.17 -45.71 87.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.9 t -75.2 -44.51 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -22.19 43.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.23 -18.72 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 11.0 m-80 47.38 55.21 16.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.642 ' HB2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.71 -24.77 29.54 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.53 26.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.4 mm? -101.69 -60.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG3' ' CD1' ' A' ' 62' ' ' PHE . 1.4 mmt -62.89 -23.53 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -50.16 -45.53 53.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.01 -25.98 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 69' ' ' LEU . 47.5 t -70.46 -62.65 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.31 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -30.77 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.4 m -109.36 23.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.738 0.304 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -144.14 155.28 43.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.703 ' O ' HD12 ' A' ' 7' ' ' ILE . 3.7 m-20 -61.24 -27.06 68.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.542 ' HG2' HD13 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.23 -44.23 88.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -55.01 -60.63 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 3' ' ' ASP . 3.2 mp -57.34 -47.38 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.14 -38.79 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -79.79 -19.85 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -56.09 -57.78 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 9.5 m-85 -74.93 -23.49 58.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -81.16 64.67 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -96.07 9.63 40.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.0 9.49 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.22 33.62 86.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.534 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -97.29 169.37 9.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.32 4.5 82.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -147.38 168.72 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.6 pt -133.05 136.49 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -58.12 123.84 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -86.41 -16.66 36.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.648 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.1 m -77.23 -45.08 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.09 -25.89 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.18 -61.32 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 t -53.97 -33.78 57.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.9 -19.63 40.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.75 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.21 -52.79 57.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -46.83 -47.57 21.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -54.99 -47.39 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.67 -11.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.1 -7.69 27.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.56 139.72 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 t -110.6 25.44 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.0 m -136.03 17.84 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.91 27.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.7 -31.78 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -79.96 -36.82 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.93 -31.39 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.17 -41.7 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -80.54 -21.16 42.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.09 -49.95 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -23.6 12.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.17 -21.72 64.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -74.5 -48.62 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.407 HG22 ' CB ' ' A' ' 61' ' ' SER . 45.4 pt -69.28 -27.75 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.535 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.8 t70 -93.55 107.34 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -101.12 -15.45 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.72 2.09 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.44 33.32 8.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -103.7 168.69 8.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' SER . . . -89.66 48.79 3.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-85 -166.11 149.07 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.58 HG22 ' OE1' ' A' ' 58' ' ' GLU . 5.1 pt -140.64 133.98 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.15 173.9 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.21 -39.61 44.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.9 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' HG22 ' A' ' 54' ' ' ILE . 31.3 mt-10 -69.13 -55.95 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -56.48 -38.04 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.542 HD13 ' HG2' ' A' ' 4' ' ' MET . 7.4 mm -66.89 -46.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.407 ' CB ' HG22 ' A' ' 46' ' ' ILE . 17.3 t -48.9 -27.03 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 67' ' ' PRO . 1.4 t80 -69.05 -43.2 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.4 t -75.86 -44.13 42.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -24.43 54.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.65 -18.7 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 13.8 m-80 48.55 54.94 16.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.75 -27.03 27.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 10.4 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.647 HD23 ' HB2' ' A' ' 67' ' ' PRO . 2.7 mm? -101.28 -60.05 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mmt -59.67 -22.85 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -49.44 -45.96 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.71 -30.72 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.04 -58.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -20.92 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.537 ' HG2' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.19 -29.43 69.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.537 HG13 ' HG2' ' A' ' 75' ' ' LYS . 13.2 m -105.88 24.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_