data_2yu0_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 2yu0 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -50.93 -19.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.22 -21.49 0.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.77 -59.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.4 -24.89 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.8 -51.54 69.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 pt -74.23 158.94 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 19' ' ' LYS . 5.7 m120 -80.39 143.57 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' ASN . 9.6 tmtm? -36.32 -38.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -49.16 -66.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -58.94 -41.89 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -45.9 -50.97 13.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -44.2 -45.8 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.01 -44.81 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.481 ' CE1' HD22 ' A' ' 29' ' ' LEU . 17.0 t80 -54.18 -45.05 72.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -62.46 -33.06 74.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -69.32 -42.8 74.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -67.8 -23.75 65.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.481 HD22 ' CE1' ' A' ' 25' ' ' PHE . 4.5 mm? -99.04 -16.51 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.45 -39.2 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -48.91 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.41 -62.64 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.37 -16.39 64.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.0 t30 66.91 35.41 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HE3' ' A' ' 51' ' ' MET . 79.8 mt -55.52 177.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 4.1 mm-40 -69.18 177.42 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.89 -34.09 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.24 -1.9 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 3.3 m120 -108.21 35.32 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -86.36 -10.58 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.7 -33.63 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.53 -12.48 32.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -80.16 170.05 16.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' ILE . 46.5 p -141.53 150.77 42.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.8 p -39.93 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.2 mm -69.54 -67.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -49.32 -36.48 21.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.2 mm -73.68 -37.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.12 -57.5 12.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -53.08 -41.26 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.461 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 8.0 mtm -57.37 -43.03 83.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtp -71.5 -39.47 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.07 -54.76 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.58 -53.07 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 28.5 tptt -52.06 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.28 82.5 1.22 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.92 27.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.299 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.29 11.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -120.69 -14.63 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 71.22 29.6 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.82 9.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.7 tp -41.26 -52.31 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.52 -60.58 7.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.521 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -35.23 4.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' ILE . 3.4 tm? -74.77 -56.7 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' LEU . 31.4 mt -34.37 -48.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.18 -51.12 70.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -48.22 -26.88 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.3 m -84.34 -37.12 21.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.96 -47.08 81.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.52 -40.18 68.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.62 132.67 41.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 -27.88 26.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.23 -6.2 59.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -115.35 -19.37 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -50.84 -36.36 37.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -61.67 -33.96 74.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -85.17 -41.13 15.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.92 -48.97 8.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -36.11 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.21 -37.05 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt -69.74 -50.58 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -45.93 -54.56 8.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -39.9 -45.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -44.45 -22.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.61 12.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 60.9 mt -71.24 -49.66 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.62 -28.83 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.62 -57.29 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 pt -66.87 151.87 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -69.74 154.94 41.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -51.09 -35.54 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -53.69 -55.79 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -67.68 -35.12 78.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 26.1 t80 -51.19 -40.81 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 t -54.38 -46.54 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -49.06 79.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CE1' HD22 ' A' ' 29' ' ' LEU . 11.6 t80 -50.79 -46.12 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.73 -25.8 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -74.45 -40.57 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.57 -25.54 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.423 HD22 ' CE1' ' A' ' 25' ' ' PHE . 3.0 mm? -94.56 -20.18 19.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.92 -39.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -48.99 49.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.28 -62.98 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.5 -5.14 17.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 52.98 48.54 22.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.94 170.86 14.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' ASN . 13.8 mt-10 -95.52 99.37 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.456 ' HD2' ' NE2' ' A' ' 40' ' ' GLN . 38.2 mmm-85 -40.76 -25.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' GLU . 68.2 m-20 -92.57 -34.11 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.548 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.1 t-20 -111.46 44.82 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' NE2' ' HD2' ' A' ' 37' ' ' ARG . 29.3 mt-30 -87.03 -22.04 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.76 -48.56 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.548 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 5.8 pt20 -46.45 -29.22 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 24.7 m-85 -74.65 150.29 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -130.94 165.84 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.507 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 76.3 p -44.7 -25.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mm -74.04 -69.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -45.9 -55.03 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mm -55.37 -42.71 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 14' ' ' LEU . . . -57.21 -30.44 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -73.66 -59.05 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -45.8 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 42.0 mtp -66.03 -53.15 42.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -42.19 -28.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -93.2 -51.49 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -48.12 -61.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.22 83.61 1.47 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.59 5.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.62 -54.64 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -19.69 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 62.34 29.45 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.6 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 tp -58.58 -70.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -51.33 -40.22 45.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -59.63 -42.47 92.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 82' ' ' LEU . 3.5 tm? -66.18 -49.32 67.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.6 mt -43.61 -50.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.0 -54.39 43.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -43.81 -37.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 59.4 m -77.96 -37.85 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.61 -50.39 60.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.52 -45.67 77.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.1 t -83.2 121.93 77.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -4.46 14.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.32 -21.72 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.7 mt -102.52 -16.27 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -48.01 -34.68 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 80' ' ' GLU . 19.7 ttpt -51.98 -52.48 50.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.5 mmt-85 -67.59 -40.66 84.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 -54.63 11.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 5.8 pt-20 -57.99 -24.35 57.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.77 -40.75 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.414 ' CD1' HD12 ' A' ' 65' ' ' LEU . 19.5 mt -64.09 -28.11 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -73.42 -54.12 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -39.54 -50.89 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 5.6 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -52.62 -28.86 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.52 -35.08 2.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -68.23 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.73 0.3 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.88 -30.45 58.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 t -49.36 -57.51 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -65.06 136.65 26.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 9.5 m120 -60.88 145.53 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.9 tptt -38.08 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -47.13 -50.9 19.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.447 ' CE1' HG13 ' A' ' 72' ' ' VAL . 19.5 m-85 -73.11 -51.0 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 36.7 t80 -40.23 -47.97 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -47.5 -42.5 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.34 -56.46 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 9.8 t80 -39.82 -48.95 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.5 mtmt -55.1 -44.32 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -65.04 -32.15 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.3 -26.07 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.4 -16.89 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -38.25 -50.52 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -60.86 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -63.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.39 -20.54 63.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.1 m-80 72.22 38.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.72 165.22 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' ASP . 2.1 mp0 -90.4 98.61 11.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 2.4 ppt_? -39.48 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.9 p30 -93.58 -36.98 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -107.95 46.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 37.5 mt-30 -86.81 -20.94 26.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.0 pp20? -66.81 -51.03 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 39' ' ' ASN . 5.6 pt20 -45.55 -28.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 22.5 m-85 -75.99 142.79 41.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -122.93 167.63 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 7.9 p -51.14 -26.38 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' ALA . 22.9 mm -77.98 -69.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -43.78 -37.16 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.1 mm -73.76 -31.4 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . . . -61.36 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -46.36 -55.2 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 mtm -44.85 -50.02 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.2 mtp -62.81 -52.25 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.42 -33.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -93.03 -31.86 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.3 tptp -63.81 -56.08 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -116.51 83.68 13.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.26 5.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.5 -52.69 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -122.85 6.25 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.96 26.16 3.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.11 -20.26 50.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.0 tp -39.01 -37.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.0 -58.96 3.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -46.05 -36.68 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 2.1 tm? -67.33 -51.49 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 51.9 mt -41.4 -58.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.6 -57.27 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -39.86 -47.09 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 74.8 m -67.78 -52.76 33.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.07 -57.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -47.36 -48.9 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.447 HG13 ' CE1' ' A' ' 21' ' ' TYR . 2.9 t -84.49 128.17 62.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -22.46 32.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.35 -6.64 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.6 mt -120.11 -20.34 7.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -44.15 -27.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -42.87 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -73.72 -34.66 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.09 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.28 -55.06 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.2 mt -46.79 -42.41 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HE3' ' CG2' ' A' ' 66' ' ' ILE . 66.4 mttt -43.06 -36.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -59.51 -44.72 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' ARG . 3.2 tt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.756 0.313 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.0 ttm180 -35.0 -34.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -40.03 -47.36 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.11 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -47.72 -39.5 17.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 t -40.02 -57.27 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 pt -75.42 133.52 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.15 155.79 13.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -45.36 -44.8 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -40.93 -63.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.406 ' CD2' HD22 ' A' ' 75' ' ' LEU . 28.7 m-85 -64.81 -44.43 89.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 25.0 t80 -42.6 -44.88 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -48.44 -41.86 30.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.32 -35.88 78.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 33.0 t80 -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 36.0 mtmt -57.73 -36.82 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 t -62.83 -44.58 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.08 -30.04 70.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.2 mm? -88.86 -25.11 22.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.38 -52.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -54.31 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.1 mt -72.97 2.68 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 99.1 m-20 46.79 41.6 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HE3' ' A' ' 51' ' ' MET . 68.5 mt -57.92 176.85 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.21 164.38 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -31.89 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.37 -29.85 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.453 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 9.3 m120 -80.77 44.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -86.96 -39.22 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.26 -43.85 80.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 39' ' ' ASN . 4.6 pt20 -45.57 -26.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -73.08 163.93 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.8 p -136.73 158.49 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 71.7 p -43.51 -35.79 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.95 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.76 -44.49 48.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.91 -39.74 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' MET . . . -58.08 -67.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ALA . 36.3 m-80 -36.38 -48.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.458 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 29.4 mtm -58.27 -44.27 88.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.571 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 38.1 mtp -67.72 -39.82 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -41.47 51.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.41 -44.32 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tptp -58.15 -61.35 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CE2' ' HE2' ' A' ' 52' ' ' MET . 1.8 m-85 -108.99 83.05 2.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.13 -58.68 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -118.83 -6.98 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m 68.79 25.01 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.11 -37.3 3.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.423 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 tp -39.1 -54.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.71 -67.24 2.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.48 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -42.76 -35.48 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.566 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.3 tm? -72.43 -51.89 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.2 mt -41.46 -53.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -57.98 -48.72 79.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -47.97 -28.79 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.7 m -78.99 -38.63 36.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLU . 14.8 mm-40 -49.18 -61.31 2.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' GLU . 13.8 pt-20 -37.67 -38.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.77 129.5 46.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.733 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.91 27.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.37 -23.25 37.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ARG . 73.1 mt -94.86 -29.32 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LEU . 49.2 mtp180 -34.53 -60.68 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -45.2 -44.07 10.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 75' ' ' LEU . 18.2 tpp180 -65.62 -41.8 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.44 -63.84 1.02 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.1 pt-20 -45.77 -37.41 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 57.7 mt -64.16 -43.31 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.05 -50.73 70.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -50.45 -44.9 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -39.01 -47.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.7 ttt180 -43.93 -27.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' ARG . . . -36.85 -28.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' ARG . 29.7 mt -83.28 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.31 -24.79 60.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -54.98 -59.6 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 pt -66.83 161.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.6 t-20 -86.8 143.13 27.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' ASN . 26.0 mmtt -34.54 -42.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -72.7 -42.87 63.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 21.1 t80 -44.23 -49.93 9.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -43.92 -51.71 7.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -55.35 -49.6 71.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' HD23 ' A' ' 29' ' ' LEU . 12.1 t80 -49.11 -43.68 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ALA . 45.1 mtmt -63.14 -46.88 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -55.07 -37.92 67.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.99 -48.8 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 HD23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 mm? -75.26 -13.96 60.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -43.74 -47.22 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -56.28 -60.96 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.2 -63.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.67 -16.74 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 30' ' ' ALA . 45.1 t30 63.0 36.08 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 48' ' ' ILE . 23.2 mt -58.29 -178.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASP . 7.5 mt-10 -119.32 110.46 17.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.8 ptp180 -36.32 -32.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -86.93 -50.99 6.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.684 ' ND2' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -75.74 4.61 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' GLU . 28.2 mt-30 -80.84 -11.74 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.98 -14.1 26.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.572 ' CG ' ' ND2' ' A' ' 39' ' ' ASN . 9.5 pt20 -100.49 -44.2 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.684 ' CE1' ' ND2' ' A' ' 39' ' ' ASN . 17.8 m-85 -42.49 129.25 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.6 p -97.52 160.72 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 p -47.79 -22.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.62 -62.16 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -48.3 -50.81 28.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.462 ' CD1' HD22 ' A' ' 35' ' ' LEU . 38.3 mm -58.24 -36.7 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.31 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.88 -53.03 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -52.11 -62.72 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 68.4 mtp -52.81 -41.89 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.43 -37.56 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -84.23 -43.48 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -54.88 -60.75 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -112.23 83.5 5.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.68 5.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.6 -54.98 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -11.91 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 61.92 31.84 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.95 -12.19 58.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 tp -40.49 -49.05 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.06 -60.29 8.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 29' ' ' LEU . 9.1 tppt? -44.83 -36.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.68 -53.38 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.5 mt -45.79 -58.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -51.15 -44.49 61.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.71 -27.86 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' ARG . 93.8 m -83.69 -19.51 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -79.2 -37.12 39.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -63.44 -12.59 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.438 ' CG1' ' HD2' ' A' ' 73' ' ' PRO . 2.0 t -113.25 135.84 21.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HD2' ' CG1' ' A' ' 72' ' ' VAL . 53.0 Cg_endo -69.79 -13.35 34.48 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.17 -27.25 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 69' ' ' CYS . 28.9 mt -91.23 -23.66 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 69' ' ' CYS . 8.4 mtt-85 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -63.65 -51.32 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.99 -38.39 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.19 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -48.22 -32.75 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.69 -45.15 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.92 -36.2 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -68.45 -32.69 72.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -57.17 -34.82 68.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.811 0.338 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 14' ' ' LEU . 24.7 ttt180 -47.14 -21.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.88 -24.21 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' ARG . 9.0 mt -91.82 -63.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -49.96 -19.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.65 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.68 134.08 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.46 154.97 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -51.82 -18.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -66.68 -51.46 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 15.4 t80 -52.13 -45.42 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -50.16 -36.05 28.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -70.46 -42.56 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 32.3 t80 -56.77 -44.45 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.516 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 38.0 mtmt -62.13 -31.04 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 t -67.99 -34.3 76.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.31 -27.02 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 29' ' ' LEU . 4.1 mm? -92.58 -22.28 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.1 -47.12 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -50.03 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.75 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 94.7 mt -73.17 1.62 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 2.7 p-10 47.21 39.94 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD2' ' HE2' ' A' ' 51' ' ' MET . 32.1 mt -56.7 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 177.45 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -88.46 -52.39 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -122.26 -3.57 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 42' ' ' GLN . 25.1 t30 -103.24 34.28 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.42 -10.86 55.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -80.76 -48.8 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.546 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 6.2 pt20 -45.17 -27.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.23 160.44 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -132.6 162.57 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 25.1 p -50.5 -22.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -75.62 -68.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.92 -40.95 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.07 -42.56 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.77 -57.39 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -54.05 -43.12 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.457 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 12.8 mtm -55.54 -36.31 66.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.9 mtp -79.08 -45.26 20.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -43.24 -49.92 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 55' ' ' LYS . 2.6 pp20? -76.3 -52.91 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.555 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 tppt? -52.12 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.42 82.45 1.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -0.03 6.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 0.0 112.409 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.89 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.59 -4.22 9.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m 57.74 31.71 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.73 -27.43 18.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.86 -45.18 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.03 -62.21 3.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -45.43 -35.35 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.6 tm? -72.8 -58.57 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 65' ' ' LEU . 19.2 mt -34.89 -49.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.33 -46.36 83.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 62.5 t80 -53.58 -30.63 43.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.5 m -76.26 -26.59 56.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' VAL . 50.3 mt-10 -64.34 -62.16 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -39.1 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' GLU . 18.5 t -107.46 123.3 38.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.17 35.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.57 -20.15 40.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.4 -17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -51.62 -25.6 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.65 -35.35 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -81.13 -45.49 16.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.61 -44.39 8.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.16 -33.7 76.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.79 -40.83 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.82 -55.86 9.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -49.15 -48.42 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.801 0.334 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -47.42 -20.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.93 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.0 mt -84.72 -56.86 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.65 -31.82 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 m -50.94 -50.46 57.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.75 130.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' LYS . 19.1 m120 -53.89 136.86 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -34.96 -37.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -45.52 -59.32 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -67.97 -48.49 65.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 34.4 t80 -43.08 -42.75 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -53.01 -38.76 62.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.72 -45.72 77.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CE1' ' CD2' ' A' ' 29' ' ' LEU . 11.7 t80 -53.65 -44.33 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.0 mtmt -60.66 -35.78 77.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.25 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -74.42 -30.21 61.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.514 ' CD2' ' CE1' ' A' ' 25' ' ' PHE . 3.3 mm? -91.32 -22.21 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.03 -49.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.55 -61.58 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.85 -10.62 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 4.8 m120 55.72 37.53 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 160.01 21.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ASP . 13.4 mt-10 -80.52 100.42 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HA ' ' CD ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -42.02 -23.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -96.9 -38.14 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.552 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.2 t-20 -106.61 48.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' CD ' ' HA ' ' A' ' 37' ' ' ARG . 28.7 mt-30 -86.67 -25.12 24.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.66 -47.78 44.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.552 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 4.2 pt20 -45.07 -24.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.19 152.64 32.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -128.86 157.52 41.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 p -41.57 -28.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.8 mm -71.27 -69.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -46.08 -45.29 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.76 -38.33 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -47.91 -40.69 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.6 mtm -61.93 -37.13 83.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -76.49 -31.22 57.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.16 -39.51 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -62.26 -53.27 57.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -118.98 84.05 25.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.01 -54.91 12.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.13 -14.86 9.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m 67.38 31.75 6.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.54 -34.71 5.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 tp -39.57 -46.89 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.16 -69.1 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -39.38 -34.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' ILE . 2.9 tm? -74.07 -60.3 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' LEU . 56.2 mt -34.96 -55.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -51.58 -53.03 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -47.36 -32.3 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.7 m -74.79 -31.92 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.35 -54.84 42.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -50.29 -39.1 44.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.23 122.22 71.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.57 16.48 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.749 2.299 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.74 -15.18 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.2 mt -105.12 -19.76 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -46.58 -39.62 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -52.01 -48.96 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.17 -38.73 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.01 -64.82 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.63 -45.17 48.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.24 -41.11 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.72 -42.4 97.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.75 -48.98 79.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -39.65 -50.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 13' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.8 mmm180 -45.14 -21.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 11' ' ' LEU . . . -42.23 -24.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 15.2 mt -92.43 -51.03 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.87 -13.83 60.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -66.81 -42.39 85.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.2 pt -86.78 131.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.31 156.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -51.07 -22.64 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -59.78 -57.35 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.3 -45.24 63.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 11.1 t80 -42.4 -44.53 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -52.27 -55.83 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mp -48.25 -49.93 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.403 ' CE1' HD21 ' A' ' 29' ' ' LEU . 12.2 t80 -53.44 -47.97 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -56.08 -28.89 59.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -73.46 -43.76 59.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.2 mt -67.61 -28.25 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.403 HD21 ' CE1' ' A' ' 25' ' ' PHE . 4.4 mm? -94.11 -17.46 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.2 -38.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -48.78 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.34 -62.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.0 -11.71 41.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 60.5 37.57 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.91 166.07 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ASP . 10.0 mt-10 -91.98 98.71 11.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mmm180 -38.38 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' GLU . 5.3 m-20 -91.84 -40.71 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.544 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 11.9 t-20 -102.98 46.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 37.3 mt-30 -87.01 -21.43 26.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 15.0 pt-20 -76.03 -48.17 22.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.544 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 6.0 pt20 -45.43 -29.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.429 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 33.6 m-85 -72.84 158.95 34.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' ILE . 67.1 p -138.14 156.89 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.2 p -41.52 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.9 mm -76.55 -69.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -47.44 -39.7 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mm -70.33 -36.5 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' HB1' ' CD1' ' A' ' 14' ' ' LEU . . . -57.55 -65.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -45.67 -61.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.7 mtm -43.47 -35.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -78.3 -46.19 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -42.73 -42.88 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LYS . 13.9 mt-10 -84.77 -54.17 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' GLU . 43.9 tptt -37.01 -52.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -114.18 87.73 13.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 2.19 3.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.299 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.72 -56.99 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.52 17.35 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p 46.14 27.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 -28.58 10.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.4 tp -40.95 -53.12 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.12 52.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.507 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -56.86 -40.7 76.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.62 -50.67 49.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mt -42.13 -57.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -50.93 -45.99 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.55 -28.17 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.1 m -83.26 -16.24 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.41 -43.99 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.41 -14.24 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.4 t -110.36 120.41 44.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.9 -6.42 18.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.0 -7.54 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.1 mt -117.89 -13.56 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -54.23 -23.0 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -66.21 -42.91 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -78.97 -37.52 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.1 -60.64 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -52.5 -41.89 63.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.87 -38.27 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.9 mt -70.46 -31.86 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.28 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -66.01 -54.6 23.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.999 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.1 ttt85 -46.7 -25.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.47 -25.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ARG . 23.9 mt -89.22 -61.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -48.07 -41.8 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.8 t -45.54 -56.21 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 21.0 pt -71.17 143.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -73.18 153.59 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -41.34 -33.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -49.11 -61.1 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -69.84 -45.36 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 27.9 t80 -45.9 -42.09 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -55.9 -37.19 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.67 -46.73 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CE2' HD23 ' A' ' 65' ' ' LEU . 8.0 t80 -53.18 -45.52 68.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ALA . 31.3 mtmt -57.4 -35.38 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.7 t -70.06 -35.35 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.45 -25.45 59.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 29' ' ' LEU . 4.1 mm? -99.82 -21.95 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' NE2' ' A' ' 40' ' ' GLN . . . -33.95 -51.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -51.44 68.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -61.48 -62.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' CB ' HD21 ' A' ' 35' ' ' LEU . 21.9 mt -74.17 3.93 6.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.413 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 25.9 t30 43.59 44.71 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.45 HD21 ' CB ' ' A' ' 33' ' ' LEU . 17.6 mt -65.76 173.88 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 40' ' ' GLN . 4.5 mm-40 -111.8 108.26 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' GLU . 85.7 mtt180 -35.92 -41.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -42.92 69.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 23.2 t-20 -91.32 6.87 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 26.1 mt-30 -74.57 -15.56 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.402 ' CG ' ' H ' ' A' ' 42' ' ' GLN . 7.8 pt-20 -94.58 -55.36 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.508 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 6.4 pt20 -54.31 -40.15 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 1.6 m-85 -38.8 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.7 p -120.58 152.11 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.4 p -45.31 -29.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.98 -65.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -41.13 -53.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.66 -39.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.66 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' MET . 61.1 m-80 -43.97 -67.36 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' ASN . 14.2 mtm -36.9 -41.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 72.9 mtp -72.54 -57.78 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -38.4 -35.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.84 -45.77 10.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 38.7 tptt -52.57 -42.4 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -127.75 84.26 63.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -0.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.81 -51.46 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.27 -12.65 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.7 p 47.63 29.13 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.77 -23.8 21.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.4 tp -45.1 -65.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.06 -60.74 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -44.65 -40.88 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.2 tm? -72.15 -41.31 67.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.403 HG21 ' CG ' ' A' ' 83' ' ' LYS . 56.7 mt -49.48 -55.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.196 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.72 -44.53 69.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -52.08 -34.59 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.8 m -76.81 -41.63 43.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.77 -60.19 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -39.86 -41.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.72 130.09 46.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -21.66 33.38 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.709 2.272 . . . . 0.0 112.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -5.92 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.7 mt -114.72 -17.01 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -51.5 -25.8 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -62.6 -37.0 84.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -78.16 -49.0 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.09 -65.74 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 20.0 pt-20 -44.27 -51.85 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 80' ' ' GLU . 74.8 mt -55.27 -49.88 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.82 -60.39 3.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' CG ' HG21 ' A' ' 66' ' ' ILE . 3.4 mtpm? -46.2 -43.28 15.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 14.5 tmtt? -47.8 -48.64 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.786 0.326 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -55.57 -16.04 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.4 -29.12 30.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.47 -50.6 9.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.1 -35.69 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 m -46.43 -57.72 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 pt -67.17 144.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' HIS . 50.6 m-80 -71.24 143.23 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' ASN . 44.4 mmtm -36.56 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' ASN . 41.8 t60 -55.19 -57.58 11.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -67.95 -43.01 80.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 21.9 t80 -45.93 -39.63 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -57.27 -39.97 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.55 -43.52 84.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.536 ' CE1' HD23 ' A' ' 29' ' ' LEU . 11.4 t80 -56.82 -44.27 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 28.2 mtmt -61.43 -21.79 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.5 t -72.5 -45.7 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.29 -28.48 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.536 HD23 ' CE1' ' A' ' 25' ' ' PHE . 2.9 mm? -89.6 -27.6 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -36.83 -46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -53.0 61.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -65.39 -63.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.2 -22.34 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 74.81 27.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.16 177.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mm-40 -63.08 148.81 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 38' ' ' ASP . 3.0 ppt_? -64.91 -37.39 87.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 4.8 t70 -134.02 -34.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -76.44 49.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 9.0 mt-30 -86.44 -35.86 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -44.36 -39.41 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.45 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 8.1 pt20 -50.09 -41.11 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -62.06 140.91 58.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.6 p -104.82 -174.78 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 p -74.17 -28.17 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.8 mt -74.58 -70.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 46' ' ' ILE . 67.8 mt-30 -33.6 -57.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.9 mm -55.15 -43.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -53.45 -47.02 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' GLU . 37.4 m-80 -62.94 -64.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 mtm -39.58 -39.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.2 mtp -74.41 -35.45 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASN . 6.5 mt-10 -58.45 -36.87 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 50' ' ' ASN . 1.7 pm0 -92.31 -33.7 14.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 17.6 tptm -66.88 -59.96 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -113.67 84.06 7.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.66 10.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.73 -57.99 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.6 -1.76 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.6 m 54.49 30.81 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.99 -27.43 20.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 tp -38.96 -63.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.34 5.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.562 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HE2' ' CD1' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.44 -38.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.98 -53.8 18.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.3 mt -42.12 -54.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.28 -56.31 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -40.41 -45.25 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' GLU . 90.6 m -61.95 -53.45 55.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' CYS . 17.6 mt-10 -37.01 -58.43 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -45.66 -47.69 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.2 t -84.69 120.34 73.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.37 6.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.62 -7.75 18.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.4 mt -116.07 -17.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -42.68 -43.69 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -54.66 -40.04 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.15 -40.66 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.88 -66.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.461 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.9 pt-20 -45.96 -52.07 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.5 mt -49.21 -36.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.02 -24.65 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.461 ' CE ' ' HA ' ' A' ' 80' ' ' GLU . 30.3 mtmt -80.7 -41.36 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -46.33 -37.73 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.796 0.331 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . 28.3 ttt-85 -35.15 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -36.06 -31.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ARG . 38.4 mt -84.94 -57.04 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -49.21 -44.48 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.9 t -39.14 -61.78 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.9 pt -65.63 146.83 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 19' ' ' LYS . 3.1 m120 -79.45 150.34 31.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 2.1 mptm? -35.71 -46.09 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -40.36 -61.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -69.51 -44.15 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 19.7 t80 -42.33 -44.28 3.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -53.54 -42.24 67.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.85 -43.69 82.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.553 ' CZ ' HD23 ' A' ' 65' ' ' LEU . 35.8 t80 -55.01 -47.05 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.975 0.417 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 38.9 mtmt -59.72 -34.53 73.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -39.83 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.69 -34.62 74.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.5 mm? -86.47 -25.57 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.8 -49.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -51.39 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 53.8 m-20 -63.69 -61.38 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 55' ' ' LYS . 26.0 mt -73.91 4.03 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 m120 42.63 47.4 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' HE1' ' A' ' 51' ' ' MET . 18.5 mt -68.09 -176.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 39' ' ' ASN . 4.5 mt-10 -82.93 -173.89 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.76 8.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -26.77 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.596 ' OD1' ' CE2' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -77.1 -5.87 50.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 19.6 mt-30 -61.99 -9.7 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -88.01 -61.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.531 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 7.2 pt20 -44.76 -47.68 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.596 ' CE2' ' OD1' ' A' ' 39' ' ' ASN . 2.3 m-85 -35.23 152.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -125.62 159.27 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.6 p -42.3 -26.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mm -74.86 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -46.76 -43.63 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.91 -32.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.14 -67.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -38.47 -65.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.456 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 13.6 mtm -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.3 mtp -70.08 -43.09 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -51.62 -41.77 61.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -79.49 -38.92 33.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 16.5 mmtm -58.71 -52.05 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.34 84.46 56.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 0.23 5.96 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.67 2.246 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.54 -54.75 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -108.59 -11.04 15.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 p 59.05 29.52 19.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.93 -7.05 81.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.96 -51.2 54.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.57 -49.45 64.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' A' ' 32' ' ' ASP . 1.5 tptm -49.42 -43.28 44.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.553 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.9 tm? -66.2 -59.82 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' LEU . 49.5 mt -34.39 -59.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -48.96 -57.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -41.04 -40.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.5 m -68.35 -51.22 46.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HA ' ' CG ' ' A' ' 76' ' ' ARG . 19.2 mm-40 -42.75 -50.41 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -51.39 -45.77 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -86.99 123.76 69.81 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.642 0.734 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.48 0.54 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.4 mt -124.18 -17.1 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 6.1 mtt-85 -50.93 -32.7 21.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -53.2 -42.96 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -77.62 -42.14 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.32 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.434 ' C ' ' OE1' ' A' ' 80' ' ' GLU . 0.9 OUTLIER -49.68 -43.76 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.84 -46.38 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.34 -45.83 92.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -55.66 -30.45 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -64.09 -36.07 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 7.0 tt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -38.94 -28.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -41.65 -35.51 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.99 -65.03 0.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -49.78 -20.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.57 -53.3 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.5 pt -72.72 140.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.188 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -67.88 160.56 28.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -48.47 -22.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -60.21 -62.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -71.33 -39.67 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -48.93 -45.74 42.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -48.12 -44.26 31.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.52 -58.94 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -40.99 -49.17 3.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -54.36 -40.01 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -68.52 -37.7 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 mt -71.41 -26.41 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.89 -14.84 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' ' NE2' ' A' ' 40' ' ' GLN . . . -42.2 -38.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -51.39 26.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.01 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.1 mt -63.53 -20.52 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.7 t30 69.78 37.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 mt -68.02 170.94 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.99 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' ASP . 14.3 mt-10 -88.91 98.36 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 73.7 mtm180 -33.09 -34.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -94.18 -55.16 3.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 2.4 t-20 -83.32 45.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 16.5 mt-30 -87.32 -10.11 53.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.2 pp20? -80.2 -47.15 15.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 8.5 pt20 -44.83 -30.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.426 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 23.6 m-85 -74.5 150.56 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.969 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -129.96 168.39 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -50.88 -26.66 6.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.32 -68.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -45.93 -46.19 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.983 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.84 -37.94 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.54 -62.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -46.42 -57.62 4.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.0 mtm -43.69 -45.67 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 55.3 mtp -67.33 -52.17 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -43.1 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -96.15 -40.93 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.0 tptp -56.98 -58.83 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -109.65 84.63 3.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 110.816 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -1.02 7.77 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.02 -55.76 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -117.5 -9.81 10.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.6 m 62.93 30.4 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.78 -18.55 49.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.25 -46.85 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.94 -59.63 4.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.484 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -42.32 -36.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -70.83 -56.17 6.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.2 mt -40.81 -55.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -51.2 -50.86 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -51.84 -32.37 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 75' ' ' LEU . 64.6 m -81.87 -29.87 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.21 -47.32 77.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -54.11 -29.98 46.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.7 130.01 30.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -14.17 35.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.17 -16.58 22.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' ARG . 86.1 mt -104.32 -25.69 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -41.34 -33.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -61.7 -42.98 99.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' LEU . 33.6 mmt180 -73.43 -43.09 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.72 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.7 pt-20 -47.48 -48.27 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 91.8 mt -53.53 -36.94 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.4 mt -74.02 -21.82 59.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 80' ' ' GLU . 35.8 mtmt -77.8 -42.54 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -43.28 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.775 0.321 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -43.18 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -43.92 -29.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.51 -36.54 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.718 0.294 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.18 -21.25 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.1 p -60.3 -21.5 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 pt -119.84 158.98 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.1 t-20 -104.63 166.5 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' ASN . 2.6 tmtm? -36.04 -41.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -45.2 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -63.11 -37.01 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 6.1 t80 -50.35 -43.07 54.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -52.92 -34.9 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.89 -41.34 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 17.1 t80 -62.51 -44.69 95.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 47.6 mtmt -61.62 -29.4 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.5 t -66.44 -44.74 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.02 -21.25 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -36.65 -50.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -56.42 22.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.99 -3.36 12.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.6 t-20 51.35 41.22 27.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.92 163.52 11.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.476 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 1.3 mp0 -92.1 98.13 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -35.01 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -89.18 -42.73 11.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.9 m120 -97.48 40.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.25 -26.85 23.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 49.7 mt-10 -75.16 -43.01 54.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -50.48 -20.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -77.84 167.44 21.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -145.21 163.03 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.7 p -45.06 -27.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.74 -69.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.17 -44.61 10.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mm -65.69 -41.27 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.81 -61.48 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -48.62 -54.37 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 mtm -44.08 -42.15 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.8 mtp -74.1 -50.9 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -38.6 -43.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.92 -53.81 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 15.4 tptp -53.78 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -107.38 82.58 1.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.697 0.761 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -7.78 21.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.63 2.22 . . . . 0.0 112.4 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -58.99 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -124.55 1.13 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m 57.53 26.63 12.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.18 -32.63 7.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 tp -41.0 -44.94 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.11 -67.63 1.83 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -38.81 -32.95 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.9 tm? -73.42 -57.98 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LEU . 54.5 mt -33.93 -52.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -53.66 -52.47 59.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -45.36 -40.69 8.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 80.0 m -65.06 -41.75 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -44.92 -50.52 10.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -53.78 -46.73 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.41 121.93 76.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -23.84 30.06 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.701 2.268 . . . . 0.0 112.3 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.79 -21.61 37.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' ARG . 52.7 mt -95.61 -29.78 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' LEU . 39.9 mtp180 -38.32 -35.68 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -51.23 -48.98 61.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -72.09 -41.26 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.51 -66.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 14.3 pt-20 -48.86 -41.14 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 69.7 mt -61.14 -42.46 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.73 -44.76 96.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.68 -46.24 84.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -44.77 -52.85 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.755 0.312 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' LEU . 7.6 ptt85 -42.11 -25.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -38.51 -27.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' ARG . 79.0 mt -84.61 -58.42 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -48.27 -30.6 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.06 -59.7 4.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -67.38 152.14 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 36.7 p30 -85.63 148.81 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 40.6 mmtt -35.52 -34.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.1 t60 -51.46 -57.02 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -73.44 -48.94 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -41.63 -47.11 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -48.64 -41.83 32.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.35 -55.93 20.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CE2' HD23 ' A' ' 65' ' ' LEU . 6.1 t80 -43.53 -47.13 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -56.74 -46.94 81.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -56.01 -30.56 62.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.76 -53.11 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.1 mm? -67.94 -19.25 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -35.57 -53.13 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.4 ' CG ' ' H ' ' A' ' 32' ' ' ASP . 2.2 ptm180 -53.69 -61.43 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' H ' ' CG ' ' A' ' 31' ' ' ARG . 47.6 m-20 -59.29 -63.3 1.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 51' ' ' MET . 95.2 mt -59.62 -15.62 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 30' ' ' ALA . 64.6 t30 64.88 37.22 7.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 30' ' ' ALA . 11.6 mt -67.15 159.45 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ASP . 4.0 mm-40 -86.93 110.61 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -34.26 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' GLU . 13.5 t0 -93.42 -57.07 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.416 ' HB3' ' CD ' ' A' ' 42' ' ' GLN . 10.3 m120 -81.32 47.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mt-30 -86.7 -48.42 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' TYR . 5.1 pt-20 -70.01 -39.44 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' CD ' ' HB3' ' A' ' 39' ' ' ASN . 3.8 pt20 -45.06 -21.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' GLU . 29.6 m-85 -72.45 164.52 26.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' THR . 69.0 p -122.17 145.74 47.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . 40.0 p -35.52 -35.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' THR . 4.8 mp -69.03 -69.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -43.27 -40.78 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.09 -39.8 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -67.0 -57.27 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -44.96 -56.66 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.406 ' CB ' HD23 ' A' ' 33' ' ' LEU . 20.1 mtm -51.51 -35.24 39.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 78.5 mtp -75.68 -37.39 59.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.49 -36.37 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.42 -46.13 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -49.81 -56.84 8.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.59 83.46 4.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.688 0.756 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.85 4.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.56 -55.55 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.25 -12.79 14.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m 61.04 31.05 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.51 -10.64 70.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.59 -47.07 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.27 -54.97 11.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -49.73 -35.96 23.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.7 tm? -73.85 -49.19 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -48.18 -51.44 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.49 -42.51 74.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -57.83 -33.61 68.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 77.8 m -74.16 -37.51 63.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.61 -48.93 79.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' CD ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -48.52 -27.84 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.416 HG23 ' CD ' ' A' ' 71' ' ' GLU . 2.2 t -102.78 130.5 23.71 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -20.19 35.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.89 -0.61 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -122.59 -23.28 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CD ' HD12 ' A' ' 81' ' ' ILE . 3.2 tmtm? -53.08 -38.13 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.26 -41.86 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.94 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.92 -33.57 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.458 HD12 ' CD ' ' A' ' 77' ' ' LYS . 93.4 mt -70.62 -35.52 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -70.54 -39.38 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -56.76 -47.57 79.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -43.82 -51.08 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.877 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.779 0.324 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.1 ttt85 -40.99 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -42.74 -23.0 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 69.0 mt -85.6 -45.47 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.16 -36.33 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.75 -59.37 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.0 pt -63.07 150.44 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 19' ' ' LYS . 32.4 m-80 -71.59 136.31 47.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 18' ' ' ASN . 13.4 mmtp -34.3 -42.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -48.05 -49.52 31.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASN . 24.0 m-85 -71.4 -45.01 63.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 28.8 t80 -41.68 -43.32 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 t -54.07 -39.44 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.62 -44.15 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -55.34 -42.91 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -61.04 -24.87 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t -74.71 -49.04 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -25.08 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 29' ' ' LEU . 4.3 mm? -98.35 -19.02 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.29 -37.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -48.93 36.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.57 -63.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.78 -11.09 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 59.1 48.59 10.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 43' ' ' TYR . 29.1 mt -75.54 164.31 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' ASN . 19.2 mt-10 -89.44 98.39 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.3 ptp180 -41.27 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.8 t70 -95.16 -33.44 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -112.52 47.0 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -85.12 -10.64 56.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.32 -48.66 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.453 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 3.6 pt20 -45.61 -35.22 3.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 35' ' ' LEU . 38.5 m-85 -69.22 123.3 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.9 p -99.04 -174.77 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.5 p -69.42 -15.42 63.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.0 mt -88.07 -70.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' ILE . 75.6 mt-30 -36.07 -47.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.4 mm -63.13 -40.62 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -57.33 -45.19 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.3 mtm -45.71 -38.47 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.7 mtp -71.91 -46.54 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -48.44 -32.77 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.38 -45.99 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -53.51 -51.83 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.63 83.85 35.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.69 1.38 4.44 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.2 -55.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -7.99 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m 52.63 27.31 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.88 19.4 53.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 66' ' ' ILE . 15.5 tp -78.39 -71.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.7 -58.07 6.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -43.84 -35.75 2.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -78.83 -47.01 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.971 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.405 ' CD1' HD13 ' A' ' 62' ' ' LEU . 58.0 mt -46.61 -53.93 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.1 -47.55 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -49.0 -32.04 8.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.84 -37.28 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLU . 21.8 mm-40 -56.33 -62.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 10.7 pt-20 -36.77 -39.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.79 130.15 39.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.667 0.746 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.93 32.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.765 2.31 . . . . 0.0 112.296 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.09 53.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.3 mt -114.11 -17.0 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -46.73 -55.47 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' CD ' HD11 ' A' ' 81' ' ' ILE . 3.1 tmtm? -45.67 -32.8 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.89 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.69 -27.48 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.419 HD11 ' CD ' ' A' ' 77' ' ' LYS . 91.2 mt -79.9 -47.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.58 -27.43 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -78.87 -51.92 9.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -63.46 -35.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -44.46 -25.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.02 -24.09 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.06 -64.38 1.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -48.62 -31.54 6.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.65 -51.14 61.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 ' CD2' ' A' ' 75' ' ' LEU . 17.6 pt -76.34 150.71 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 69.4 m-80 -79.92 144.98 32.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.5 mmtp -34.81 -43.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -41.43 -62.58 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.403 ' CE1' HG13 ' A' ' 72' ' ' VAL . 10.4 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -44.88 -39.6 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -56.27 -36.13 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.31 -48.08 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.502 ' CZ ' HD23 ' A' ' 65' ' ' LEU . 24.4 t80 -50.93 -47.3 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.1 mtmt -58.37 -41.05 83.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -60.98 -42.43 98.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' CD1' ' A' ' 68' ' ' PHE . 17.6 mt -66.13 -42.84 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.4 mm? -79.74 -21.31 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.46 -54.89 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.67 -62.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.92 -10.81 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.7 m-20 55.09 32.03 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.78 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -77.49 175.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -83.27 -49.25 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.75 -17.08 10.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.3 m120 -86.42 36.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -84.23 -36.58 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -75.82 -37.97 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -54.26 -15.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -76.92 168.2 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -119.69 -174.83 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.1 p -78.46 -23.06 46.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.0 mt -78.4 -70.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 46' ' ' ILE . 31.5 mt-30 -33.88 -55.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.11 -42.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -51.24 -63.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -47.66 -62.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.7 mtm -41.15 -42.87 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.3 mtp -67.66 -49.28 63.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.92 -44.07 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -81.65 -44.97 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 36.4 tptt -49.83 -64.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -108.86 83.41 2.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.47 3.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.272 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.73 -52.59 5.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.54 -2.35 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.6 m 53.92 25.13 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.23 -21.95 41.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -39.17 -57.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.364 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.94 -65.42 3.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HG2' ' CD1' ' A' ' 29' ' ' LEU . 21.4 tptt -40.01 -38.02 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.502 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 2.5 tm? -71.01 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' LEU . 53.4 mt -35.7 -53.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -53.26 -54.48 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' CD1' HD12 ' A' ' 28' ' ' LEU . 31.1 t80 -44.13 -40.2 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 81.0 m -68.19 -48.31 65.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -40.79 -48.32 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.07 -45.82 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 21' ' ' TYR . 25.8 t -82.62 120.71 77.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -0.59 7.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.292 . . . . 0.0 112.333 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.44 -13.89 16.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' CD2' HG22 ' A' ' 17' ' ' ILE . 90.7 mt -111.24 -11.26 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -51.99 -49.32 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -52.24 -29.9 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -84.83 -41.24 16.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.44 -56.23 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -37.96 63.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.48 -39.49 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.52 -16.21 63.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -91.07 -35.75 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -56.33 -50.62 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 HD23 ' CB ' ' A' ' 49' ' ' ALA . 5.9 tp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.839 0.352 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -41.79 -23.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -46.96 -38.89 10.8 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 49' ' ' ALA . 44.8 mt -62.8 -60.03 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.55 -32.71 67.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' SG ' ' NE ' ' A' ' 78' ' ' ARG . 48.3 t -48.06 -59.07 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.1 pt -68.15 133.88 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 148.67 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -41.56 -33.35 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -52.4 -54.54 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -71.92 -48.59 44.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 17.5 t80 -39.14 -48.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -49.48 -47.57 48.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.38 -54.92 37.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 8.1 t80 -43.51 -46.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.22 -41.7 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -61.69 -34.58 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.03 -44.31 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.507 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 3.1 mm? -75.02 -23.89 58.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.45 -43.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -62.21 -59.05 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 50.5 m-20 -62.1 -61.99 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.67 -14.06 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 32' ' ' ASP . 51.5 m-80 59.18 40.11 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.23 177.28 1.88 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLN . 19.8 mt-10 -104.41 104.92 14.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' N ' ' OE1' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -52.66 -20.77 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -102.9 -13.16 17.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.451 ' OD1' ' CD ' ' A' ' 42' ' ' GLN . 2.6 t-20 -132.98 30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.6 mt-30 -86.97 -12.54 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.8 -26.78 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 2.6 pt20 -74.1 -38.46 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 18.3 m-85 -58.17 115.25 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -91.56 172.75 8.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.7 p -53.48 -30.57 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 50' ' ' ASN . 5.0 mp -75.75 -64.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -47.57 -36.75 11.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 43' ' ' TYR . 25.3 mm -73.38 -36.54 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' CB ' HD23 ' A' ' 11' ' ' LEU . . . -68.1 -60.23 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.4 HD22 ' CG2' ' A' ' 46' ' ' ILE . 50.9 m-80 -41.51 -51.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 mtm -53.38 -54.27 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.3 mtp -57.09 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -44.96 -25.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.29 -49.55 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -46.76 -61.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -107.15 84.17 1.59 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.34 -57.9 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -8.51 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m 63.66 27.65 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.17 -7.54 81.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.569 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -49.66 -60.55 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.6 -56.84 18.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.94 -40.08 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.63 -44.18 67.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.5 mt -51.38 -55.66 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -52.53 -47.91 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -52.56 -35.89 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 66.9 m -76.9 -26.52 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.68 -59.58 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -40.64 -34.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.05 127.94 43.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.74 37.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.56 -15.75 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.2 mt -107.79 -17.66 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -47.62 -54.09 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -46.83 -28.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NE ' ' SG ' ' A' ' 16' ' ' CYS . 17.1 tpp180 -82.63 -44.78 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.26 -51.9 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -28.97 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.7 mt -77.93 -33.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.52 -38.71 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LYS . 45.9 mttm -62.05 -56.44 18.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' LYS . 16.1 tptp -35.24 -50.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.4 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.813 0.339 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -43.75 -24.63 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.32 -21.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.59 -64.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -47.37 -31.89 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.64 -57.44 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.8 pt -69.02 152.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' HIS . 11.4 m120 -83.15 154.03 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -41.34 -26.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASN . 18.7 t60 -55.32 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -70.4 -43.11 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 12.9 t80 -47.29 -39.42 14.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -55.49 -41.98 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.77 -45.48 89.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -51.95 -47.49 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' NZ ' ' CE2' ' A' ' 22' ' ' PHE . 22.8 mtmt -59.87 -29.2 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -71.92 -33.99 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.11 -24.42 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.04 -19.1 18.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.77 -42.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -50.35 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -69.79 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.2 mt -60.22 -13.08 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 61.85 35.92 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.92 171.29 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' ASP . 1.8 mm-40 -100.76 106.28 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 77.8 mtp180 -34.97 -32.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.7 p-10 -83.3 -49.1 9.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.796 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 18.9 m120 -92.99 41.79 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 32.9 mt-30 -86.92 -49.72 7.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.03 -42.33 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.71 -24.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 30.9 m-85 -69.42 162.93 26.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -111.85 -176.74 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.535 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 21.8 p -77.22 -19.89 56.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.2 mt -83.12 -70.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' ILE . 17.6 mt-30 -33.8 -55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.76 -44.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -51.38 -59.43 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.03 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' MET . 42.0 m-20 -46.94 -67.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' ASN . 8.1 mtm -36.57 -45.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 56.3 mtp -67.47 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -38.62 -28.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' MET . 62.5 mm-40 -92.44 -47.79 6.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -53.9 -44.42 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.94 83.65 62.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -8.25 23.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.62 -58.23 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -100.49 -19.42 16.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m 62.83 30.99 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.15 19.07 58.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.6 tp -80.02 -71.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.98 -63.19 3.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -39.44 -38.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -77.58 -42.67 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.5 mt -51.46 -56.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.86 -43.75 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.56 -31.54 62.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.4 m -78.5 -23.76 46.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.94 -60.44 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.51 -28.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.5 t -98.25 120.75 58.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.59 2.193 . . . . 0.0 112.382 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.79 -1.15 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.14 -16.9 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -45.17 -60.5 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.86 -28.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' ALA . 7.4 tpt180 -80.45 -56.77 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' ARG . . . -36.59 -65.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 11.9 pt-20 -41.39 -47.91 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 69.1 mt -58.73 -42.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.96 -37.36 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 33.2 mttt -68.66 -49.51 58.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -37.65 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' LYS . 29.2 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.762 0.315 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LEU . 18.6 mtp180 -53.67 -21.77 7.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.37 -26.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ARG . 18.2 mt -83.96 -51.52 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.46 -37.52 72.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -44.88 -55.97 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.7 pt -68.95 138.25 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -63.54 156.68 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -53.27 -18.85 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -62.71 -60.28 3.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 15.4 m-85 -70.73 -42.9 69.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 23.0 t80 -43.22 -38.65 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -52.51 -47.05 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.36 -56.1 26.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' HD21 ' A' ' 29' ' ' LEU . 23.3 t80 -42.31 -49.57 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -58.9 -38.62 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -67.0 -28.96 68.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 mt -79.72 -35.43 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD21 ' CE1' ' A' ' 25' ' ' PHE . 4.3 mm? -87.95 -22.83 24.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.93 -49.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -53.25 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.22 -63.06 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.6 mt -55.58 -23.57 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.2 t-20 71.43 35.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' HE1' ' A' ' 51' ' ' MET . 13.8 mt -72.58 169.44 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ASP . 18.7 mt-10 -97.07 97.93 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.465 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 63.9 mtt85 -35.55 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' GLU . 19.1 t0 -90.38 -50.31 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.582 ' ND2' ' NE2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -90.26 40.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 27.5 mt-30 -87.14 -17.04 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -66.08 -43.2 88.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.582 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 11.0 pt20 -53.04 -41.05 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -67.1 138.17 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -126.13 168.32 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.8 p -45.2 -25.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -76.02 -65.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.1 -51.68 51.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.0 mm -55.5 -43.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.27 -62.84 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -47.4 -49.97 23.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.456 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 6.9 mtm -52.25 -36.62 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 38.8 mtp -75.28 -40.02 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -49.38 -42.32 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -84.85 -44.11 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -55.24 -63.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.92 84.44 3.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.675 0.75 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -4.54 14.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.24 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -115.57 -9.18 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m 63.34 28.09 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.78 7.77 70.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.564 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.49 -44.0 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.27 -52.14 28.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -32.29 34.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -74.24 -51.35 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.5 mt -45.37 -57.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -50.21 -45.55 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.66 -31.24 64.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 m -76.78 -27.31 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.78 -53.75 42.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -44.44 -34.36 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 46.7 t -101.13 126.45 34.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.105 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -27.67 26.58 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.9 -11.58 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.1 mt -109.36 -12.57 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -61.18 -14.17 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -75.16 -25.84 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.83 -43.35 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.52 14.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.05 -33.4 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.0 -42.58 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.26 -47.87 54.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LYS . 12.5 mtpt -54.76 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' LYS . 7.3 tppt? -35.67 -56.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.721 0.296 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -52.96 -15.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.38 -17.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.4 mt -92.52 -55.61 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.298 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' CYS . 6.4 mm-40 -59.52 -41.84 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.5 t -37.11 -63.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 pt -60.34 136.8 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' HIS . 79.4 m-20 -56.11 143.38 33.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -39.49 -29.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 22.9 t60 -53.31 -54.45 36.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.498 ' CD2' HD23 ' A' ' 75' ' ' LEU . 16.8 m-85 -74.49 -46.79 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -41.74 -45.71 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -54.54 -47.11 73.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.76 -51.19 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -47.86 -45.49 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.99 -35.68 79.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -66.82 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.08 -37.69 81.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' ' HE2' ' A' ' 52' ' ' MET . 4.3 mm? -84.37 -23.07 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -33.94 -51.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -51.57 -61.76 2.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -62.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.58 -11.44 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.2 m120 55.93 38.41 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.87 -178.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -74.4 125.89 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtt-85 -32.99 -52.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -128.72 -27.18 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.468 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -76.72 45.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.92 -29.11 35.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.71 -39.86 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 4.0 pt20 -48.17 -31.48 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -77.49 154.68 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' THR . 73.5 p -119.78 149.45 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 33.3 p -35.89 -34.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG21 ' ND2' ' A' ' 50' ' ' ASN . 5.1 mp -66.38 -66.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -44.54 -41.15 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.3 mm -70.0 -28.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -78.12 -48.12 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' ND2' HG21 ' A' ' 46' ' ' ILE . 59.1 m-80 -61.94 -42.81 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.3 mtm -60.12 -46.16 90.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.467 ' HE2' ' CD1' ' A' ' 29' ' ' LEU . 27.2 mtp -67.06 -43.66 82.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -40.85 -38.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -94.44 -46.91 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 45.4 tptt -42.76 -52.91 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 55' ' ' LYS . 1.5 m-85 -118.81 88.03 34.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -2.99 11.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -57.61 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 6.9 p30 -124.84 25.98 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.7 p 39.25 30.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 84.35 -25.68 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ASP . 25.2 tp -39.07 -48.28 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.73 -54.92 30.17 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -53.26 -33.28 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.49 -50.29 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.4 mt -49.42 -49.99 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.42 -43.64 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.8 -32.31 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 81.9 m -76.82 -38.96 52.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.23 -53.83 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -49.41 -23.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.99 130.0 23.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.698 0.761 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -28.93 24.82 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.96 58.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 21' ' ' TYR . 60.8 mt -106.46 -21.36 13.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -49.35 -50.71 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -55.78 -23.1 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -87.09 -42.62 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.96 -64.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -41.99 -48.11 4.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.488 ' N ' ' OE1' ' A' ' 80' ' ' GLU . 71.8 mt -53.14 -44.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.58 -16.84 62.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -83.29 -39.74 20.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -53.99 -55.01 31.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -81.37 173.26 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -127.63 175.52 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.65 -154.99 17.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 70.14 42.48 0.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -109.27 40.76 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.18 58.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.55 143.18 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.5 t -134.37 143.22 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 mt -50.08 -21.81 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.33 -39.09 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -50.93 -19.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.22 -21.49 0.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.77 -59.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.4 -24.89 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.8 -51.54 69.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 pt -74.23 158.94 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 19' ' ' LYS . 5.7 m120 -80.39 143.57 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' ASN . 9.6 tmtm? -36.32 -38.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -49.16 -66.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -58.94 -41.89 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -45.9 -50.97 13.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -44.2 -45.8 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.01 -44.81 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.481 ' CE1' HD22 ' A' ' 29' ' ' LEU . 17.0 t80 -54.18 -45.05 72.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -62.46 -33.06 74.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -69.32 -42.8 74.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -67.8 -23.75 65.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.481 HD22 ' CE1' ' A' ' 25' ' ' PHE . 4.5 mm? -99.04 -16.51 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.45 -39.2 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -48.91 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.41 -62.64 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.37 -16.39 64.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.0 t30 66.91 35.41 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HE3' ' A' ' 51' ' ' MET . 79.8 mt -55.52 177.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 4.1 mm-40 -69.18 177.42 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.89 -34.09 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.24 -1.9 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 3.3 m120 -108.21 35.32 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -86.36 -10.58 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.7 -33.63 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.53 -12.48 32.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -80.16 170.05 16.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' ILE . 46.5 p -141.53 150.77 42.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.8 p -39.93 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.2 mm -69.54 -67.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -49.32 -36.48 21.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.2 mm -73.68 -37.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.12 -57.5 12.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -53.08 -41.26 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.461 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 8.0 mtm -57.37 -43.03 83.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtp -71.5 -39.47 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.07 -54.76 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.58 -53.07 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 28.5 tptt -52.06 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.28 82.5 1.22 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.92 27.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.299 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.29 11.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -120.69 -14.63 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 71.22 29.6 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.82 9.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.7 tp -41.26 -52.31 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.52 -60.58 7.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.521 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -35.23 4.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' ILE . 3.4 tm? -74.77 -56.7 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' LEU . 31.4 mt -34.37 -48.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.18 -51.12 70.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -48.22 -26.88 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.3 m -84.34 -37.12 21.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.96 -47.08 81.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.52 -40.18 68.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.62 132.67 41.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 -27.88 26.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.23 -6.2 59.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -115.35 -19.37 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -50.84 -36.36 37.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -61.67 -33.96 74.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -85.17 -41.13 15.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.92 -48.97 8.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -36.11 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.21 -37.05 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt -69.74 -50.58 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -45.93 -54.56 8.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -39.9 -45.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.1 -40.89 71.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -50.25 -60.04 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.6 m -63.94 149.39 47.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -129.8 -58.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 m -115.99 37.93 3.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.17 140.6 0.99 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 176.37 6.84 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.4 t -89.87 81.05 6.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -70.76 115.98 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.245 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.456 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.7 t -50.12 105.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 0.0 110.813 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 23.3 p 35.1 41.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.01 89.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 m -67.88 150.31 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p 44.47 39.84 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.09 49.46 3.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.81 132.45 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.1 p -143.27 150.89 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 mt -46.75 -31.84 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.65 -35.36 72.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -44.45 -22.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.61 12.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 60.9 mt -71.24 -49.66 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.62 -28.83 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.62 -57.29 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 pt -66.87 151.87 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -69.74 154.94 41.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -51.09 -35.54 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -53.69 -55.79 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -67.68 -35.12 78.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 26.1 t80 -51.19 -40.81 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 t -54.38 -46.54 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -49.06 79.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CE1' HD22 ' A' ' 29' ' ' LEU . 11.6 t80 -50.79 -46.12 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.73 -25.8 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -74.45 -40.57 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.57 -25.54 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.423 HD22 ' CE1' ' A' ' 25' ' ' PHE . 3.0 mm? -94.56 -20.18 19.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.92 -39.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -48.99 49.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.28 -62.98 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.5 -5.14 17.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 52.98 48.54 22.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.94 170.86 14.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' ASN . 13.8 mt-10 -95.52 99.37 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.456 ' HD2' ' NE2' ' A' ' 40' ' ' GLN . 38.2 mmm-85 -40.76 -25.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' GLU . 68.2 m-20 -92.57 -34.11 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.548 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.1 t-20 -111.46 44.82 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' NE2' ' HD2' ' A' ' 37' ' ' ARG . 29.3 mt-30 -87.03 -22.04 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.76 -48.56 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.548 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 5.8 pt20 -46.45 -29.22 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 24.7 m-85 -74.65 150.29 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -130.94 165.84 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.507 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 76.3 p -44.7 -25.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mm -74.04 -69.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -45.9 -55.03 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mm -55.37 -42.71 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 14' ' ' LEU . . . -57.21 -30.44 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -73.66 -59.05 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -45.8 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 42.0 mtp -66.03 -53.15 42.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -42.19 -28.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -93.2 -51.49 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -48.12 -61.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.22 83.61 1.47 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.59 5.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.62 -54.64 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -19.69 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 62.34 29.45 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.6 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 tp -58.58 -70.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -51.33 -40.22 45.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -59.63 -42.47 92.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 82' ' ' LEU . 3.5 tm? -66.18 -49.32 67.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.6 mt -43.61 -50.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.0 -54.39 43.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -43.81 -37.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 59.4 m -77.96 -37.85 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.61 -50.39 60.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.52 -45.67 77.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.1 t -83.2 121.93 77.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -4.46 14.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.32 -21.72 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.7 mt -102.52 -16.27 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -48.01 -34.68 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 80' ' ' GLU . 19.7 ttpt -51.98 -52.48 50.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.5 mmt-85 -67.59 -40.66 84.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 -54.63 11.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 5.8 pt-20 -57.99 -24.35 57.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.77 -40.75 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.414 ' CD1' HD12 ' A' ' 65' ' ' LEU . 19.5 mt -64.09 -28.11 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -73.42 -54.12 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -39.54 -50.89 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.85 -43.34 83.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -53.59 -60.64 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -114.13 136.14 53.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -130.93 84.97 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p 45.0 41.91 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.79 159.69 21.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 138.87 39.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -57.76 125.26 22.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 p -46.18 143.09 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -113.52 92.05 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t 52.5 43.39 31.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.58 77.07 0.39 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -52.57 -47.13 67.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -93.49 51.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.83 76.36 1.55 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.4 mt -128.66 141.9 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.364 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 10' ' ' LEU . 11.6 p -148.62 162.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' N ' HG23 ' A' ' 9' ' ' VAL . 4.9 mp -57.63 -26.7 61.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 5.6 tp -76.85 -22.72 53.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -52.62 -28.86 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.52 -35.08 2.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -68.23 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.73 0.3 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.88 -30.45 58.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 t -49.36 -57.51 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -65.06 136.65 26.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 9.5 m120 -60.88 145.53 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.9 tptt -38.08 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -47.13 -50.9 19.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.447 ' CE1' HG13 ' A' ' 72' ' ' VAL . 19.5 m-85 -73.11 -51.0 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 36.7 t80 -40.23 -47.97 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -47.5 -42.5 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.34 -56.46 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 9.8 t80 -39.82 -48.95 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.5 mtmt -55.1 -44.32 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -65.04 -32.15 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.3 -26.07 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.4 -16.89 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -38.25 -50.52 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -60.86 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -63.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.39 -20.54 63.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.1 m-80 72.22 38.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.72 165.22 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' ASP . 2.1 mp0 -90.4 98.61 11.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 2.4 ppt_? -39.48 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.9 p30 -93.58 -36.98 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -107.95 46.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 37.5 mt-30 -86.81 -20.94 26.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.0 pp20? -66.81 -51.03 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 39' ' ' ASN . 5.6 pt20 -45.55 -28.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 22.5 m-85 -75.99 142.79 41.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -122.93 167.63 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 7.9 p -51.14 -26.38 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' ALA . 22.9 mm -77.98 -69.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -43.78 -37.16 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.1 mm -73.76 -31.4 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . . . -61.36 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -46.36 -55.2 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 mtm -44.85 -50.02 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.2 mtp -62.81 -52.25 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.42 -33.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -93.03 -31.86 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.3 tptp -63.81 -56.08 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -116.51 83.68 13.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.26 5.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.5 -52.69 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -122.85 6.25 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.96 26.16 3.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.11 -20.26 50.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.0 tp -39.01 -37.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.0 -58.96 3.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -46.05 -36.68 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 2.1 tm? -67.33 -51.49 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 51.9 mt -41.4 -58.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.6 -57.27 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -39.86 -47.09 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 74.8 m -67.78 -52.76 33.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.07 -57.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -47.36 -48.9 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.447 HG13 ' CE1' ' A' ' 21' ' ' TYR . 2.9 t -84.49 128.17 62.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -22.46 32.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.35 -6.64 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.6 mt -120.11 -20.34 7.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -44.15 -27.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -42.87 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -73.72 -34.66 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.09 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.28 -55.06 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.2 mt -46.79 -42.41 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HE3' ' CG2' ' A' ' 66' ' ' ILE . 66.4 mttt -43.06 -36.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -59.51 -44.72 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -69.68 -50.14 46.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -38.84 -55.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -78.9 147.71 32.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 89' ' ' SER . 7.6 pt-20 -107.05 91.69 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 88' ' ' GLU . 14.8 m 34.46 40.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.49 146.08 24.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 98.42 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.252 . . . . 0.0 112.318 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t 43.7 45.41 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.6 p -97.91 45.02 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.547 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -139.55 139.34 36.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -85.58 169.96 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.05 53.15 0.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -59.12 -51.24 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 110.827 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -86.61 -45.67 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.75 -44.35 3.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 12' ' ' ARG . 80.4 mt -40.11 131.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.401 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 10' ' ' LEU . 7.9 p -117.52 142.97 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' N ' HG21 ' A' ' 9' ' ' VAL . 4.2 mp -40.01 -34.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' ARG . 3.2 tt -67.61 -40.75 84.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' VAL . 6.0 ttm180 -35.0 -34.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -40.03 -47.36 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.11 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -47.72 -39.5 17.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 t -40.02 -57.27 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 pt -75.42 133.52 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.15 155.79 13.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -45.36 -44.8 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -40.93 -63.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' CD2' HD22 ' A' ' 75' ' ' LEU . 28.7 m-85 -64.81 -44.43 89.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 25.0 t80 -42.6 -44.88 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -48.44 -41.86 30.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.32 -35.88 78.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 33.0 t80 -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 36.0 mtmt -57.73 -36.82 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 t -62.83 -44.58 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.08 -30.04 70.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.2 mm? -88.86 -25.11 22.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.38 -52.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -54.31 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.1 mt -72.97 2.68 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 99.1 m-20 46.79 41.6 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HE3' ' A' ' 51' ' ' MET . 68.5 mt -57.92 176.85 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.21 164.38 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -31.89 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.37 -29.85 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.453 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 9.3 m120 -80.77 44.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -86.96 -39.22 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.26 -43.85 80.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 39' ' ' ASN . 4.6 pt20 -45.57 -26.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -73.08 163.93 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.8 p -136.73 158.49 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 71.7 p -43.51 -35.79 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.95 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.76 -44.49 48.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.91 -39.74 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' MET . . . -58.08 -67.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ALA . 36.3 m-80 -36.38 -48.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.458 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 29.4 mtm -58.27 -44.27 88.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.571 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 38.1 mtp -67.72 -39.82 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -41.47 51.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.41 -44.32 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tptp -58.15 -61.35 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CE2' ' HE2' ' A' ' 52' ' ' MET . 1.8 m-85 -108.99 83.05 2.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.13 -58.68 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -118.83 -6.98 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m 68.79 25.01 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.11 -37.3 3.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.423 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 tp -39.1 -54.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.71 -67.24 2.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.48 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -42.76 -35.48 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.566 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.3 tm? -72.43 -51.89 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.2 mt -41.46 -53.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -57.98 -48.72 79.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -47.97 -28.79 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.7 m -78.99 -38.63 36.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLU . 14.8 mm-40 -49.18 -61.31 2.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' GLU . 13.8 pt-20 -37.67 -38.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.77 129.5 46.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.733 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.91 27.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.37 -23.25 37.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ARG . 73.1 mt -94.86 -29.32 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LEU . 49.2 mtp180 -34.53 -60.68 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -45.2 -44.07 10.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 75' ' ' LEU . 18.2 tpp180 -65.62 -41.8 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.44 -63.84 1.02 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.1 pt-20 -45.77 -37.41 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 57.7 mt -64.16 -43.31 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.05 -50.73 70.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -50.45 -44.9 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -39.01 -47.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' ARG . 18.1 mt-10 -77.03 -48.84 16.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' GLU . 54.8 ttt180 -35.35 -49.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -60.54 105.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -111.7 -39.03 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -107.29 -46.13 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.42 158.56 9.48 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -37.4 9.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.1 m -120.17 145.38 47.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -120.72 108.97 14.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 m 55.02 47.54 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -136.82 116.66 13.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.94 149.67 18.09 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -124.3 -50.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -65.66 -28.93 69.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . 63.33 -86.16 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.3 mp -35.3 142.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -153.76 142.21 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 mt -42.75 -31.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -47.47 75.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.7 ttt180 -43.93 -27.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' ARG . . . -36.85 -28.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' ARG . 29.7 mt -83.28 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.31 -24.79 60.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -54.98 -59.6 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 pt -66.83 161.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.6 t-20 -86.8 143.13 27.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' ASN . 26.0 mmtt -34.54 -42.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -72.7 -42.87 63.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 21.1 t80 -44.23 -49.93 9.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -43.92 -51.71 7.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -55.35 -49.6 71.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' HD23 ' A' ' 29' ' ' LEU . 12.1 t80 -49.11 -43.68 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ALA . 45.1 mtmt -63.14 -46.88 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -55.07 -37.92 67.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.99 -48.8 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 HD23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 mm? -75.26 -13.96 60.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -43.74 -47.22 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -56.28 -60.96 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.2 -63.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.67 -16.74 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 30' ' ' ALA . 45.1 t30 63.0 36.08 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 48' ' ' ILE . 23.2 mt -58.29 -178.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASP . 7.5 mt-10 -119.32 110.46 17.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.8 ptp180 -36.32 -32.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -86.93 -50.99 6.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.684 ' ND2' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -75.74 4.61 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' GLU . 28.2 mt-30 -80.84 -11.74 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.98 -14.1 26.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.572 ' CG ' ' ND2' ' A' ' 39' ' ' ASN . 9.5 pt20 -100.49 -44.2 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.684 ' CE1' ' ND2' ' A' ' 39' ' ' ASN . 17.8 m-85 -42.49 129.25 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.6 p -97.52 160.72 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 p -47.79 -22.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.62 -62.16 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -48.3 -50.81 28.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.462 ' CD1' HD22 ' A' ' 35' ' ' LEU . 38.3 mm -58.24 -36.7 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.31 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.88 -53.03 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -52.11 -62.72 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 68.4 mtp -52.81 -41.89 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.43 -37.56 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -84.23 -43.48 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -54.88 -60.75 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -112.23 83.5 5.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.68 5.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.6 -54.98 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -11.91 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 61.92 31.84 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.95 -12.19 58.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 tp -40.49 -49.05 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.06 -60.29 8.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 29' ' ' LEU . 9.1 tppt? -44.83 -36.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.68 -53.38 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.5 mt -45.79 -58.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -51.15 -44.49 61.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.71 -27.86 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' ARG . 93.8 m -83.69 -19.51 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -79.2 -37.12 39.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -63.44 -12.59 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.438 ' CG1' ' HD2' ' A' ' 73' ' ' PRO . 2.0 t -113.25 135.84 21.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HD2' ' CG1' ' A' ' 72' ' ' VAL . 53.0 Cg_endo -69.79 -13.35 34.48 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.17 -27.25 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 69' ' ' CYS . 28.9 mt -91.23 -23.66 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 69' ' ' CYS . 8.4 mtt-85 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -63.65 -51.32 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.99 -38.39 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.19 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -48.22 -32.75 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.69 -45.15 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.92 -36.2 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -68.45 -32.69 72.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -57.17 -34.82 68.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -90.14 -51.15 5.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -42.34 -46.08 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -116.39 137.92 51.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 89' ' ' SER . 13.9 pt-20 -100.56 -50.39 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 14.7 m -108.29 -38.95 5.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.81 147.09 0.75 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.541 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.02 15.24 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 t -55.0 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.2 m -130.47 164.56 24.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.428 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -126.82 -45.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 p -65.01 107.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.72 97.93 0.69 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.557 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -100.78 80.79 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.897 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -84.2 42.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.14 47.44 3.16 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.1 mt -109.47 138.86 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.09 144.16 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.8 mt -42.52 -28.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -46.22 71.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 14' ' ' LEU . 24.7 ttt180 -47.14 -21.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.88 -24.21 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' ARG . 9.0 mt -91.82 -63.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -49.96 -19.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.65 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.68 134.08 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.46 154.97 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -51.82 -18.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -66.68 -51.46 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 15.4 t80 -52.13 -45.42 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -50.16 -36.05 28.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -70.46 -42.56 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 32.3 t80 -56.77 -44.45 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 38.0 mtmt -62.13 -31.04 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 t -67.99 -34.3 76.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.31 -27.02 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 29' ' ' LEU . 4.1 mm? -92.58 -22.28 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.1 -47.12 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -50.03 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.75 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 94.7 mt -73.17 1.62 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 2.7 p-10 47.21 39.94 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD2' ' HE2' ' A' ' 51' ' ' MET . 32.1 mt -56.7 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 177.45 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -88.46 -52.39 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -122.26 -3.57 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 42' ' ' GLN . 25.1 t30 -103.24 34.28 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.42 -10.86 55.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -80.76 -48.8 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.546 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 6.2 pt20 -45.17 -27.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.23 160.44 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -132.6 162.57 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 25.1 p -50.5 -22.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -75.62 -68.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.92 -40.95 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.07 -42.56 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.77 -57.39 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -54.05 -43.12 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.457 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 12.8 mtm -55.54 -36.31 66.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.9 mtp -79.08 -45.26 20.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -43.24 -49.92 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 55' ' ' LYS . 2.6 pp20? -76.3 -52.91 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.555 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 tppt? -52.12 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.42 82.45 1.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -0.03 6.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 0.0 112.409 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.89 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.59 -4.22 9.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m 57.74 31.71 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.73 -27.43 18.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.86 -45.18 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.03 -62.21 3.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -45.43 -35.35 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.6 tm? -72.8 -58.57 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 65' ' ' LEU . 19.2 mt -34.89 -49.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.33 -46.36 83.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 62.5 t80 -53.58 -30.63 43.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.5 m -76.26 -26.59 56.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' VAL . 50.3 mt-10 -64.34 -62.16 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -39.1 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' GLU . 18.5 t -107.46 123.3 38.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.17 35.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.57 -20.15 40.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.4 -17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -51.62 -25.6 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.65 -35.35 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -81.13 -45.49 16.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.61 -44.39 8.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.16 -33.7 76.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.79 -40.83 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.82 -55.86 9.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -49.15 -48.42 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.72 -46.85 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 -47.63 -39.86 18.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 t -65.48 120.08 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -128.77 82.8 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.0 m 43.12 42.88 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.02 163.39 13.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.541 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 84.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.256 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -157.05 122.45 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.6 p -83.17 115.54 21.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -77.58 89.15 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -98.61 118.86 36.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.53 64.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -80.6 144.17 32.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.798 0.332 . . . . 0.0 110.828 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -115.2 83.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.97 51.9 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.2 mp -111.28 142.12 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' LEU . 8.7 p -139.33 142.04 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' VAL . 43.4 mt -37.03 -30.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -70.22 -48.26 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' VAL . 9.6 mmp_? -47.42 -20.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.93 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.0 mt -84.72 -56.86 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.65 -31.82 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 m -50.94 -50.46 57.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.75 130.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' LYS . 19.1 m120 -53.89 136.86 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -34.96 -37.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -45.52 -59.32 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -67.97 -48.49 65.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 34.4 t80 -43.08 -42.75 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -53.01 -38.76 62.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.72 -45.72 77.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CE1' ' CD2' ' A' ' 29' ' ' LEU . 11.7 t80 -53.65 -44.33 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.0 mtmt -60.66 -35.78 77.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.25 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -74.42 -30.21 61.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.514 ' CD2' ' CE1' ' A' ' 25' ' ' PHE . 3.3 mm? -91.32 -22.21 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.03 -49.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.55 -61.58 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.85 -10.62 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 4.8 m120 55.72 37.53 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 160.01 21.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ASP . 13.4 mt-10 -80.52 100.42 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HA ' ' CD ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -42.02 -23.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -96.9 -38.14 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.552 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.2 t-20 -106.61 48.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' CD ' ' HA ' ' A' ' 37' ' ' ARG . 28.7 mt-30 -86.67 -25.12 24.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.66 -47.78 44.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.552 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 4.2 pt20 -45.07 -24.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.19 152.64 32.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -128.86 157.52 41.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 p -41.57 -28.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.8 mm -71.27 -69.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -46.08 -45.29 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.76 -38.33 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -47.91 -40.69 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.6 mtm -61.93 -37.13 83.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -76.49 -31.22 57.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.16 -39.51 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -62.26 -53.27 57.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -118.98 84.05 25.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.01 -54.91 12.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.13 -14.86 9.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m 67.38 31.75 6.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.54 -34.71 5.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 tp -39.57 -46.89 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.16 -69.1 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -39.38 -34.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' ILE . 2.9 tm? -74.07 -60.3 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' LEU . 56.2 mt -34.96 -55.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -51.58 -53.03 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -47.36 -32.3 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.7 m -74.79 -31.92 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.35 -54.84 42.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -50.29 -39.1 44.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.23 122.22 71.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.57 16.48 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.749 2.299 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.74 -15.18 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.2 mt -105.12 -19.76 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -46.58 -39.62 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -52.01 -48.96 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.17 -38.73 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.01 -64.82 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.63 -45.17 48.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.24 -41.11 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.72 -42.4 97.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.75 -48.98 79.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -39.65 -50.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -67.48 -54.86 16.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -38.27 -49.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 t -117.12 119.33 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -132.58 80.26 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 t 39.79 52.15 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.15 146.27 39.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -50.11 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -71.76 154.71 41.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 84.3 p -77.89 159.34 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -45.41 -54.08 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -68.49 124.91 24.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.02 136.39 5.55 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -109.0 87.91 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.1 p -105.67 62.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.09 57.5 0.53 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.84 153.88 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' LEU . 11.1 p -159.31 146.15 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tt -42.85 -23.88 0.05 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -71.56 -41.54 68.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.8 mmm180 -45.14 -21.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 11' ' ' LEU . . . -42.23 -24.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 15.2 mt -92.43 -51.03 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.87 -13.83 60.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -66.81 -42.39 85.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.2 pt -86.78 131.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.31 156.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -51.07 -22.64 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -59.78 -57.35 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.3 -45.24 63.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 11.1 t80 -42.4 -44.53 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -52.27 -55.83 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mp -48.25 -49.93 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.403 ' CE1' HD21 ' A' ' 29' ' ' LEU . 12.2 t80 -53.44 -47.97 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -56.08 -28.89 59.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -73.46 -43.76 59.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.2 mt -67.61 -28.25 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.403 HD21 ' CE1' ' A' ' 25' ' ' PHE . 4.4 mm? -94.11 -17.46 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.2 -38.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -48.78 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.34 -62.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.0 -11.71 41.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 60.5 37.57 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.91 166.07 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ASP . 10.0 mt-10 -91.98 98.71 11.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mmm180 -38.38 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' GLU . 5.3 m-20 -91.84 -40.71 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.544 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 11.9 t-20 -102.98 46.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 37.3 mt-30 -87.01 -21.43 26.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 15.0 pt-20 -76.03 -48.17 22.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.544 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 6.0 pt20 -45.43 -29.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.429 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 33.6 m-85 -72.84 158.95 34.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' ILE . 67.1 p -138.14 156.89 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.2 p -41.52 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.9 mm -76.55 -69.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -47.44 -39.7 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mm -70.33 -36.5 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' HB1' ' CD1' ' A' ' 14' ' ' LEU . . . -57.55 -65.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -45.67 -61.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.7 mtm -43.47 -35.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -78.3 -46.19 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -42.73 -42.88 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LYS . 13.9 mt-10 -84.77 -54.17 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' GLU . 43.9 tptt -37.01 -52.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -114.18 87.73 13.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 2.19 3.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.299 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.72 -56.99 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.52 17.35 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p 46.14 27.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 -28.58 10.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.4 tp -40.95 -53.12 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.12 52.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.507 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -56.86 -40.7 76.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.62 -50.67 49.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mt -42.13 -57.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -50.93 -45.99 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.55 -28.17 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.1 m -83.26 -16.24 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.41 -43.99 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.41 -14.24 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.4 t -110.36 120.41 44.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.9 -6.42 18.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.0 -7.54 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.1 mt -117.89 -13.56 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -54.23 -23.0 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -66.21 -42.91 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -78.97 -37.52 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.1 -60.64 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -52.5 -41.89 63.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.87 -38.27 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.9 mt -70.46 -31.86 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.28 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -66.01 -54.6 23.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.999 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 86' ' ' ARG . 11.9 pt-20 -60.42 -40.22 90.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' GLU . 27.7 ttt180 -36.95 -58.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -66.34 142.24 57.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -115.82 -45.93 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.5 t -85.91 -35.79 20.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -44.33 148.0 1.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.427 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 138.11 36.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.7 p -135.86 167.82 20.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.818 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.8 p -142.04 136.1 29.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.214 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -139.12 150.11 45.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -122.28 144.32 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.77 -54.24 0.21 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -99.35 130.11 45.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 m -116.3 43.06 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.89 69.32 0.38 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 9' ' ' VAL . 22.0 mt -90.13 142.99 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.432 ' N ' HG22 ' A' ' 8' ' ' ILE . 3.3 t -135.73 145.11 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -46.45 -21.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.78 -38.29 15.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.1 ttt85 -46.7 -25.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.47 -25.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ARG . 23.9 mt -89.22 -61.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -48.07 -41.8 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.8 t -45.54 -56.21 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 21.0 pt -71.17 143.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -73.18 153.59 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -41.34 -33.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -49.11 -61.1 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -69.84 -45.36 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 27.9 t80 -45.9 -42.09 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -55.9 -37.19 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.67 -46.73 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CE2' HD23 ' A' ' 65' ' ' LEU . 8.0 t80 -53.18 -45.52 68.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ALA . 31.3 mtmt -57.4 -35.38 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.7 t -70.06 -35.35 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.45 -25.45 59.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 29' ' ' LEU . 4.1 mm? -99.82 -21.95 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' NE2' ' A' ' 40' ' ' GLN . . . -33.95 -51.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -51.44 68.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -61.48 -62.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' CB ' HD21 ' A' ' 35' ' ' LEU . 21.9 mt -74.17 3.93 6.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.413 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 25.9 t30 43.59 44.71 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.45 HD21 ' CB ' ' A' ' 33' ' ' LEU . 17.6 mt -65.76 173.88 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 40' ' ' GLN . 4.5 mm-40 -111.8 108.26 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' GLU . 85.7 mtt180 -35.92 -41.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -42.92 69.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 23.2 t-20 -91.32 6.87 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 26.1 mt-30 -74.57 -15.56 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' CG ' ' H ' ' A' ' 42' ' ' GLN . 7.8 pt-20 -94.58 -55.36 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.508 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 6.4 pt20 -54.31 -40.15 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 1.6 m-85 -38.8 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.7 p -120.58 152.11 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.4 p -45.31 -29.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.98 -65.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -41.13 -53.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.66 -39.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.66 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' MET . 61.1 m-80 -43.97 -67.36 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' ASN . 14.2 mtm -36.9 -41.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 72.9 mtp -72.54 -57.78 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -38.4 -35.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.84 -45.77 10.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 38.7 tptt -52.57 -42.4 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -127.75 84.26 63.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -0.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.81 -51.46 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.27 -12.65 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.7 p 47.63 29.13 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.77 -23.8 21.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.4 tp -45.1 -65.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.06 -60.74 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -44.65 -40.88 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.2 tm? -72.15 -41.31 67.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.403 HG21 ' CG ' ' A' ' 83' ' ' LYS . 56.7 mt -49.48 -55.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.196 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.72 -44.53 69.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -52.08 -34.59 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.8 m -76.81 -41.63 43.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.77 -60.19 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -39.86 -41.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.72 130.09 46.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -21.66 33.38 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.709 2.272 . . . . 0.0 112.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -5.92 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.7 mt -114.72 -17.01 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -51.5 -25.8 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -62.6 -37.0 84.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -78.16 -49.0 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.09 -65.74 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 20.0 pt-20 -44.27 -51.85 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 80' ' ' GLU . 74.8 mt -55.27 -49.88 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.82 -60.39 3.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.403 ' CG ' HG21 ' A' ' 66' ' ' ILE . 3.4 mtpm? -46.2 -43.28 15.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 14.5 tmtt? -47.8 -48.64 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -81.5 -23.71 37.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -54.13 -55.43 27.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -115.4 148.78 38.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' SER . 7.8 pt-20 -106.35 93.22 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' GLU . 2.6 m 34.64 38.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.9 -175.02 50.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 -17.06 37.26 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.651 2.234 . . . . 0.0 112.271 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -63.57 -60.63 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.4 p -57.87 -53.12 61.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -79.23 84.8 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 60.49 38.99 18.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.65 -147.08 21.86 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 m 40.9 51.32 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -89.47 42.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.43 50.27 3.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.8 mt -73.19 129.23 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.4 151.69 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp -50.81 -29.97 13.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.49 -33.94 77.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -55.57 -16.04 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.4 -29.12 30.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.47 -50.6 9.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.1 -35.69 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 m -46.43 -57.72 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 pt -67.17 144.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' HIS . 50.6 m-80 -71.24 143.23 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' ASN . 44.4 mmtm -36.56 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' ASN . 41.8 t60 -55.19 -57.58 11.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -67.95 -43.01 80.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 21.9 t80 -45.93 -39.63 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -57.27 -39.97 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.55 -43.52 84.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.536 ' CE1' HD23 ' A' ' 29' ' ' LEU . 11.4 t80 -56.82 -44.27 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 28.2 mtmt -61.43 -21.79 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.5 t -72.5 -45.7 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.29 -28.48 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.536 HD23 ' CE1' ' A' ' 25' ' ' PHE . 2.9 mm? -89.6 -27.6 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -36.83 -46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -53.0 61.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -65.39 -63.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.2 -22.34 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 74.81 27.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.16 177.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mm-40 -63.08 148.81 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 38' ' ' ASP . 3.0 ppt_? -64.91 -37.39 87.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 4.8 t70 -134.02 -34.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -76.44 49.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 9.0 mt-30 -86.44 -35.86 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -44.36 -39.41 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.45 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 8.1 pt20 -50.09 -41.11 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -62.06 140.91 58.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.6 p -104.82 -174.78 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 p -74.17 -28.17 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.8 mt -74.58 -70.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 46' ' ' ILE . 67.8 mt-30 -33.6 -57.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.9 mm -55.15 -43.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -53.45 -47.02 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' GLU . 37.4 m-80 -62.94 -64.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 mtm -39.58 -39.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.2 mtp -74.41 -35.45 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASN . 6.5 mt-10 -58.45 -36.87 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 50' ' ' ASN . 1.7 pm0 -92.31 -33.7 14.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 17.6 tptm -66.88 -59.96 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -113.67 84.06 7.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.66 10.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.73 -57.99 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.6 -1.76 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.6 m 54.49 30.81 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.99 -27.43 20.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 tp -38.96 -63.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.34 5.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.562 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HE2' ' CD1' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.44 -38.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.98 -53.8 18.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.3 mt -42.12 -54.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.28 -56.31 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -40.41 -45.25 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' GLU . 90.6 m -61.95 -53.45 55.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' CYS . 17.6 mt-10 -37.01 -58.43 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -45.66 -47.69 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.2 t -84.69 120.34 73.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.37 6.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.62 -7.75 18.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.4 mt -116.07 -17.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -42.68 -43.69 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -54.66 -40.04 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.15 -40.66 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.88 -66.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.9 pt-20 -45.96 -52.07 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.5 mt -49.21 -36.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.02 -24.65 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.461 ' CE ' ' HA ' ' A' ' 80' ' ' GLU . 30.3 mtmt -80.7 -41.36 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -46.33 -37.73 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -82.95 -45.41 14.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -48.74 -43.78 37.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -88.06 111.18 21.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 89' ' ' SER . 32.5 mt-10 -126.98 90.72 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 88' ' ' GLU . 3.4 m 34.57 43.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.85 -176.8 8.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.71 -1.54 8.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.609 2.206 . . . . 0.0 112.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' PRO . 49.1 m -37.79 121.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -108.62 140.8 41.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -140.92 135.73 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -58.58 126.14 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.49 129.94 9.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.415 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -132.85 101.56 5.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.814 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -66.83 -50.43 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . 82.81 -36.27 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 9' ' ' VAL . 95.6 mt -37.27 135.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 111.117 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 11' ' ' LEU . 9.4 p -145.15 144.14 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 6.0 mp -38.49 -33.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -56.07 -54.91 39.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . 28.3 ttt-85 -35.15 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -36.06 -31.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ARG . 38.4 mt -84.94 -57.04 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -49.21 -44.48 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.9 t -39.14 -61.78 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.9 pt -65.63 146.83 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 19' ' ' LYS . 3.1 m120 -79.45 150.34 31.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 2.1 mptm? -35.71 -46.09 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -40.36 -61.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -69.51 -44.15 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 19.7 t80 -42.33 -44.28 3.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -53.54 -42.24 67.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.85 -43.69 82.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.553 ' CZ ' HD23 ' A' ' 65' ' ' LEU . 35.8 t80 -55.01 -47.05 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.975 0.417 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 38.9 mtmt -59.72 -34.53 73.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -39.83 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.69 -34.62 74.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.5 mm? -86.47 -25.57 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.8 -49.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -51.39 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 53.8 m-20 -63.69 -61.38 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 55' ' ' LYS . 26.0 mt -73.91 4.03 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 m120 42.63 47.4 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' HE1' ' A' ' 51' ' ' MET . 18.5 mt -68.09 -176.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 39' ' ' ASN . 4.5 mt-10 -82.93 -173.89 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.76 8.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -26.77 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.596 ' OD1' ' CE2' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -77.1 -5.87 50.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 19.6 mt-30 -61.99 -9.7 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -88.01 -61.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.531 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 7.2 pt20 -44.76 -47.68 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.596 ' CE2' ' OD1' ' A' ' 39' ' ' ASN . 2.3 m-85 -35.23 152.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -125.62 159.27 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.6 p -42.3 -26.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mm -74.86 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -46.76 -43.63 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.91 -32.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.14 -67.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -38.47 -65.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.456 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 13.6 mtm -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.3 mtp -70.08 -43.09 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -51.62 -41.77 61.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -79.49 -38.92 33.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 16.5 mmtm -58.71 -52.05 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.34 84.46 56.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 0.23 5.96 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.67 2.246 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.54 -54.75 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -108.59 -11.04 15.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 p 59.05 29.52 19.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.93 -7.05 81.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 10' ' ' LEU . 8.6 tp -50.96 -51.2 54.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.57 -49.45 64.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' A' ' 32' ' ' ASP . 1.5 tptm -49.42 -43.28 44.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.553 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.9 tm? -66.2 -59.82 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' LEU . 49.5 mt -34.39 -59.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -48.96 -57.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -41.04 -40.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.5 m -68.35 -51.22 46.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HA ' ' CG ' ' A' ' 76' ' ' ARG . 19.2 mm-40 -42.75 -50.41 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -51.39 -45.77 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -86.99 123.76 69.81 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.642 0.734 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.48 0.54 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.4 mt -124.18 -17.1 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 6.1 mtt-85 -50.93 -32.7 21.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -53.2 -42.96 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -77.62 -42.14 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.32 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.434 ' C ' ' OE1' ' A' ' 80' ' ' GLU . 0.9 OUTLIER -49.68 -43.76 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.84 -46.38 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.34 -45.83 92.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -55.66 -30.45 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -64.09 -36.07 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' ARG . 29.9 mt-10 -88.42 -36.62 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' GLU . 53.9 ttt180 -35.88 -52.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.3 m -83.23 105.87 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -120.84 -16.2 8.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.5 p -130.77 -0.35 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -118.68 -174.24 16.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 136.23 32.44 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 p -125.25 -42.89 1.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.5 m -51.15 -47.14 62.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -75.68 130.21 38.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -78.19 137.94 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.69 141.26 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -122.46 120.93 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.829 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -103.92 -56.65 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . 87.31 -60.75 4.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.4 mp -34.92 141.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -169.36 151.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 mt -44.08 -33.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 7.0 tt -56.39 -39.89 73.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -38.94 -28.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -41.65 -35.51 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.99 -65.03 0.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -49.78 -20.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.57 -53.3 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.5 pt -72.72 140.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.188 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -67.88 160.56 28.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -48.47 -22.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -60.21 -62.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -71.33 -39.67 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -48.93 -45.74 42.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -48.12 -44.26 31.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.52 -58.94 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -40.99 -49.17 3.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -54.36 -40.01 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -68.52 -37.7 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 mt -71.41 -26.41 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.89 -14.84 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' ' NE2' ' A' ' 40' ' ' GLN . . . -42.2 -38.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -51.39 26.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.01 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.1 mt -63.53 -20.52 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.7 t30 69.78 37.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 mt -68.02 170.94 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.99 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' ASP . 14.3 mt-10 -88.91 98.36 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 73.7 mtm180 -33.09 -34.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -94.18 -55.16 3.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 2.4 t-20 -83.32 45.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 16.5 mt-30 -87.32 -10.11 53.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.2 pp20? -80.2 -47.15 15.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 8.5 pt20 -44.83 -30.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.426 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 23.6 m-85 -74.5 150.56 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.969 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -129.96 168.39 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -50.88 -26.66 6.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.32 -68.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -45.93 -46.19 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.983 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.84 -37.94 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.54 -62.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -46.42 -57.62 4.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.0 mtm -43.69 -45.67 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 55.3 mtp -67.33 -52.17 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -43.1 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -96.15 -40.93 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.0 tptp -56.98 -58.83 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -109.65 84.63 3.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 110.816 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -1.02 7.77 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.02 -55.76 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -117.5 -9.81 10.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.6 m 62.93 30.4 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.78 -18.55 49.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.25 -46.85 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.94 -59.63 4.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.484 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -42.32 -36.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -70.83 -56.17 6.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.2 mt -40.81 -55.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -51.2 -50.86 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -51.84 -32.37 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 75' ' ' LEU . 64.6 m -81.87 -29.87 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.21 -47.32 77.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -54.11 -29.98 46.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.7 130.01 30.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -14.17 35.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.17 -16.58 22.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' ARG . 86.1 mt -104.32 -25.69 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -41.34 -33.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -61.7 -42.98 99.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' LEU . 33.6 mmt180 -73.43 -43.09 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.72 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.7 pt-20 -47.48 -48.27 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 91.8 mt -53.53 -36.94 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.4 mt -74.02 -21.82 59.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 80' ' ' GLU . 35.8 mtmt -77.8 -42.54 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -43.28 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.51 -40.52 57.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -42.68 -52.18 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -88.47 149.07 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.62 83.77 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t 39.34 41.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.75 153.0 16.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.56 65.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.373 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.2 m -157.3 162.7 39.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 p -87.89 -10.38 50.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -81.69 156.04 25.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 0.0 110.805 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -73.53 136.79 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.04 -106.77 3.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.8 p -158.9 156.71 30.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -85.12 42.89 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.91 91.17 1.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.6 mt -125.87 127.77 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.6 t -125.75 148.47 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 7.8 tp -55.24 -23.37 22.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -81.96 -37.24 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -43.18 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -43.92 -29.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.51 -36.54 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.718 0.294 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.18 -21.25 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.1 p -60.3 -21.5 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 pt -119.84 158.98 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.1 t-20 -104.63 166.5 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' ASN . 2.6 tmtm? -36.04 -41.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -45.2 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -63.11 -37.01 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 6.1 t80 -50.35 -43.07 54.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -52.92 -34.9 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.89 -41.34 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 17.1 t80 -62.51 -44.69 95.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 47.6 mtmt -61.62 -29.4 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.5 t -66.44 -44.74 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.02 -21.25 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -36.65 -50.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -56.42 22.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.99 -3.36 12.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.6 t-20 51.35 41.22 27.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.92 163.52 11.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.476 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 1.3 mp0 -92.1 98.13 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -35.01 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -89.18 -42.73 11.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.9 m120 -97.48 40.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.25 -26.85 23.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 49.7 mt-10 -75.16 -43.01 54.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -50.48 -20.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -77.84 167.44 21.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -145.21 163.03 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.7 p -45.06 -27.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.74 -69.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.17 -44.61 10.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mm -65.69 -41.27 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.81 -61.48 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -48.62 -54.37 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 mtm -44.08 -42.15 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.8 mtp -74.1 -50.9 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -38.6 -43.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.92 -53.81 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 15.4 tptp -53.78 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -107.38 82.58 1.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.697 0.761 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -7.78 21.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.63 2.22 . . . . 0.0 112.4 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -58.99 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -124.55 1.13 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m 57.53 26.63 12.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.18 -32.63 7.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . 10.8 tp -41.0 -44.94 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.11 -67.63 1.83 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -38.81 -32.95 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.9 tm? -73.42 -57.98 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LEU . 54.5 mt -33.93 -52.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -53.66 -52.47 59.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -45.36 -40.69 8.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 80.0 m -65.06 -41.75 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -44.92 -50.52 10.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -53.78 -46.73 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.41 121.93 76.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -23.84 30.06 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.701 2.268 . . . . 0.0 112.3 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.79 -21.61 37.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' ARG . 52.7 mt -95.61 -29.78 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' LEU . 39.9 mtp180 -38.32 -35.68 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -51.23 -48.98 61.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -72.09 -41.26 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.51 -66.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 14.3 pt-20 -48.86 -41.14 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 69.7 mt -61.14 -42.46 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.73 -44.76 96.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.68 -46.24 84.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -44.77 -52.85 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.66 -51.28 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -38.4 -48.49 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -72.38 96.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -109.1 -37.94 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.6 m -97.6 -51.56 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.73 -178.76 24.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.4 Cg_endo -69.69 2.73 3.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 91' ' ' PRO . 58.5 m -34.51 111.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 t -71.66 -40.15 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p 41.83 41.99 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -109.4 133.54 52.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.0 118.5 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -132.93 153.03 51.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -110.3 40.16 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.01 47.54 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 9' ' ' VAL . 5.3 mp -104.25 137.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.448 ' N ' HG22 ' A' ' 8' ' ' ILE . 11.2 p -165.39 164.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 mt -49.46 -32.89 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -56.37 -43.35 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' LEU . 7.6 ptt85 -42.11 -25.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -38.51 -27.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' ARG . 79.0 mt -84.61 -58.42 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -48.27 -30.6 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.06 -59.7 4.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -67.38 152.14 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 36.7 p30 -85.63 148.81 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 40.6 mmtt -35.52 -34.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.1 t60 -51.46 -57.02 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -73.44 -48.94 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -41.63 -47.11 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -48.64 -41.83 32.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.35 -55.93 20.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CE2' HD23 ' A' ' 65' ' ' LEU . 6.1 t80 -43.53 -47.13 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -56.74 -46.94 81.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -56.01 -30.56 62.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.76 -53.11 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.1 mm? -67.94 -19.25 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -35.57 -53.13 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' CG ' ' H ' ' A' ' 32' ' ' ASP . 2.2 ptm180 -53.69 -61.43 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' H ' ' CG ' ' A' ' 31' ' ' ARG . 47.6 m-20 -59.29 -63.3 1.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 51' ' ' MET . 95.2 mt -59.62 -15.62 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 30' ' ' ALA . 64.6 t30 64.88 37.22 7.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 30' ' ' ALA . 11.6 mt -67.15 159.45 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ASP . 4.0 mm-40 -86.93 110.61 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -34.26 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' GLU . 13.5 t0 -93.42 -57.07 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.416 ' HB3' ' CD ' ' A' ' 42' ' ' GLN . 10.3 m120 -81.32 47.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mt-30 -86.7 -48.42 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' TYR . 5.1 pt-20 -70.01 -39.44 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' CD ' ' HB3' ' A' ' 39' ' ' ASN . 3.8 pt20 -45.06 -21.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' GLU . 29.6 m-85 -72.45 164.52 26.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' THR . 69.0 p -122.17 145.74 47.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . 40.0 p -35.52 -35.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' THR . 4.8 mp -69.03 -69.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -43.27 -40.78 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.09 -39.8 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -67.0 -57.27 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -44.96 -56.66 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.406 ' CB ' HD23 ' A' ' 33' ' ' LEU . 20.1 mtm -51.51 -35.24 39.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 78.5 mtp -75.68 -37.39 59.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.49 -36.37 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.42 -46.13 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -49.81 -56.84 8.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.59 83.46 4.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.688 0.756 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.85 4.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.56 -55.55 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.25 -12.79 14.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m 61.04 31.05 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.51 -10.64 70.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.59 -47.07 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.27 -54.97 11.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -49.73 -35.96 23.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.7 tm? -73.85 -49.19 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -48.18 -51.44 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.49 -42.51 74.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -57.83 -33.61 68.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 77.8 m -74.16 -37.51 63.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.61 -48.93 79.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.416 ' CD ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -48.52 -27.84 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.416 HG23 ' CD ' ' A' ' 71' ' ' GLU . 2.2 t -102.78 130.5 23.71 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -20.19 35.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.89 -0.61 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -122.59 -23.28 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CD ' HD12 ' A' ' 81' ' ' ILE . 3.2 tmtm? -53.08 -38.13 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.26 -41.86 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.94 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.92 -33.57 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.458 HD12 ' CD ' ' A' ' 77' ' ' LYS . 93.4 mt -70.62 -35.52 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -70.54 -39.38 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -56.76 -47.57 79.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -43.82 -51.08 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.81 -43.85 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -44.34 -40.4 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.8 p -102.38 141.4 35.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -109.76 -56.08 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.5 m -75.4 -49.79 17.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.52 146.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.72 -4.5 14.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 91' ' ' PRO . 9.5 m -34.55 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -152.83 142.67 22.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.572 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -142.96 176.27 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.872 0.367 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -46.21 165.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.48 -156.87 1.62 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -145.94 137.38 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -128.35 43.57 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.38 58.43 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -103.14 136.38 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 10' ' ' LEU . 14.6 p -165.1 161.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' N ' HG21 ' A' ' 9' ' ' VAL . 5.3 mp -47.21 -34.62 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -62.64 -46.34 88.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.1 ttt85 -40.99 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -42.74 -23.0 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 69.0 mt -85.6 -45.47 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.16 -36.33 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.75 -59.37 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.0 pt -63.07 150.44 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 19' ' ' LYS . 32.4 m-80 -71.59 136.31 47.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 18' ' ' ASN . 13.4 mmtp -34.3 -42.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -48.05 -49.52 31.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASN . 24.0 m-85 -71.4 -45.01 63.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 28.8 t80 -41.68 -43.32 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 t -54.07 -39.44 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.62 -44.15 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -55.34 -42.91 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -61.04 -24.87 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t -74.71 -49.04 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -25.08 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 29' ' ' LEU . 4.3 mm? -98.35 -19.02 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.29 -37.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -48.93 36.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.57 -63.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.78 -11.09 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 59.1 48.59 10.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 43' ' ' TYR . 29.1 mt -75.54 164.31 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' ASN . 19.2 mt-10 -89.44 98.39 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.3 ptp180 -41.27 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.8 t70 -95.16 -33.44 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -112.52 47.0 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -85.12 -10.64 56.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.32 -48.66 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.453 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 3.6 pt20 -45.61 -35.22 3.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 35' ' ' LEU . 38.5 m-85 -69.22 123.3 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.9 p -99.04 -174.77 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.5 p -69.42 -15.42 63.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.0 mt -88.07 -70.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' ILE . 75.6 mt-30 -36.07 -47.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.4 mm -63.13 -40.62 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -57.33 -45.19 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.3 mtm -45.71 -38.47 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.7 mtp -71.91 -46.54 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -48.44 -32.77 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.38 -45.99 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -53.51 -51.83 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.63 83.85 35.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.69 1.38 4.44 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.2 -55.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -7.99 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m 52.63 27.31 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.88 19.4 53.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 66' ' ' ILE . 15.5 tp -78.39 -71.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.7 -58.07 6.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -43.84 -35.75 2.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -78.83 -47.01 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.971 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.405 ' CD1' HD13 ' A' ' 62' ' ' LEU . 58.0 mt -46.61 -53.93 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.1 -47.55 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -49.0 -32.04 8.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.84 -37.28 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLU . 21.8 mm-40 -56.33 -62.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 10.7 pt-20 -36.77 -39.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.79 130.15 39.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.667 0.746 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.93 32.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.765 2.31 . . . . 0.0 112.296 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.09 53.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.3 mt -114.11 -17.0 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -46.73 -55.47 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' CD ' HD11 ' A' ' 81' ' ' ILE . 3.1 tmtm? -45.67 -32.8 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.89 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.69 -27.48 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.419 HD11 ' CD ' ' A' ' 77' ' ' LYS . 91.2 mt -79.9 -47.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.58 -27.43 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -78.87 -51.92 9.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -63.46 -35.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 86' ' ' ARG . 4.1 tp10 -79.29 -38.8 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' GLU . 35.8 ttt180 -36.92 -55.43 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.3 m -68.15 135.44 52.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.51 -50.96 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 t -120.99 44.52 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -129.77 -161.88 10.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 95.36 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.388 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 t -170.84 149.46 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.8 p -123.77 161.13 25.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t -122.46 98.38 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -115.08 170.27 8.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.56 -121.59 1.03 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m 53.61 43.91 30.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -111.49 78.73 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.61 58.82 0.6 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mt -103.42 129.52 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 12' ' ' ARG . 13.5 p -111.42 148.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -40.05 -28.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt -73.25 -42.34 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' VAL . 16.0 mmt180 -44.46 -25.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.02 -24.09 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.06 -64.38 1.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -48.62 -31.54 6.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.65 -51.14 61.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 ' CD2' ' A' ' 75' ' ' LEU . 17.6 pt -76.34 150.71 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 69.4 m-80 -79.92 144.98 32.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.5 mmtp -34.81 -43.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -41.43 -62.58 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.403 ' CE1' HG13 ' A' ' 72' ' ' VAL . 10.4 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -44.88 -39.6 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -56.27 -36.13 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.31 -48.08 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.502 ' CZ ' HD23 ' A' ' 65' ' ' LEU . 24.4 t80 -50.93 -47.3 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.1 mtmt -58.37 -41.05 83.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -60.98 -42.43 98.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' CD1' ' A' ' 68' ' ' PHE . 17.6 mt -66.13 -42.84 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.4 mm? -79.74 -21.31 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.46 -54.89 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.67 -62.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.92 -10.81 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.7 m-20 55.09 32.03 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.78 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -77.49 175.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -83.27 -49.25 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.75 -17.08 10.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.3 m120 -86.42 36.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -84.23 -36.58 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -75.82 -37.97 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -54.26 -15.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -76.92 168.2 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -119.69 -174.83 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.1 p -78.46 -23.06 46.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.0 mt -78.4 -70.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 46' ' ' ILE . 31.5 mt-30 -33.88 -55.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.11 -42.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -51.24 -63.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -47.66 -62.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.7 mtm -41.15 -42.87 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.3 mtp -67.66 -49.28 63.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.92 -44.07 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -81.65 -44.97 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 36.4 tptt -49.83 -64.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -108.86 83.41 2.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.47 3.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.272 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.73 -52.59 5.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.54 -2.35 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.6 m 53.92 25.13 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.23 -21.95 41.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -39.17 -57.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.364 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.94 -65.42 3.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HG2' ' CD1' ' A' ' 29' ' ' LEU . 21.4 tptt -40.01 -38.02 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.502 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 2.5 tm? -71.01 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' LEU . 53.4 mt -35.7 -53.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -53.26 -54.48 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' CD1' HD12 ' A' ' 28' ' ' LEU . 31.1 t80 -44.13 -40.2 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 81.0 m -68.19 -48.31 65.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -40.79 -48.32 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.07 -45.82 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 21' ' ' TYR . 25.8 t -82.62 120.71 77.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -0.59 7.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.292 . . . . 0.0 112.333 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.44 -13.89 16.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' CD2' HG22 ' A' ' 17' ' ' ILE . 90.7 mt -111.24 -11.26 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -51.99 -49.32 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -52.24 -29.9 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -84.83 -41.24 16.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.44 -56.23 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -37.96 63.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.48 -39.49 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.52 -16.21 63.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -91.07 -35.75 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -56.33 -50.62 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.74 -30.37 59.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' SER . 24.3 ttp85 -45.98 -50.91 14.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ARG . 19.9 p -35.55 142.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.92 -42.23 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 m -117.49 -21.51 8.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.55 -158.24 22.7 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 92' ' ' SER . 54.9 Cg_endo -69.74 1.54 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.408 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 91' ' ' PRO . 1.4 m -35.14 135.86 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -55.5 156.88 4.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.404 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' SER . 34.3 t 59.24 43.56 16.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.8 t 34.72 41.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.15 -115.53 1.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -106.5 159.34 16.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.907 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 m -121.02 78.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.79 47.18 3.38 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.468 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mm -75.83 132.56 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.19 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.49 138.83 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -58.63 -16.46 16.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 HD23 ' CB ' ' A' ' 49' ' ' ALA . 5.9 tp -90.97 -25.57 19.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -41.79 -23.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -46.96 -38.89 10.8 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 49' ' ' ALA . 44.8 mt -62.8 -60.03 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.55 -32.71 67.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' SG ' ' NE ' ' A' ' 78' ' ' ARG . 48.3 t -48.06 -59.07 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.1 pt -68.15 133.88 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 148.67 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -41.56 -33.35 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -52.4 -54.54 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -71.92 -48.59 44.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 17.5 t80 -39.14 -48.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -49.48 -47.57 48.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.38 -54.92 37.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 8.1 t80 -43.51 -46.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.22 -41.7 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -61.69 -34.58 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.03 -44.31 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.507 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 3.1 mm? -75.02 -23.89 58.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.45 -43.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -62.21 -59.05 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 50.5 m-20 -62.1 -61.99 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.67 -14.06 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 32' ' ' ASP . 51.5 m-80 59.18 40.11 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.23 177.28 1.88 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLN . 19.8 mt-10 -104.41 104.92 14.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' N ' ' OE1' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -52.66 -20.77 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -102.9 -13.16 17.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' OD1' ' CD ' ' A' ' 42' ' ' GLN . 2.6 t-20 -132.98 30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.6 mt-30 -86.97 -12.54 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.8 -26.78 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 2.6 pt20 -74.1 -38.46 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 18.3 m-85 -58.17 115.25 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -91.56 172.75 8.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.7 p -53.48 -30.57 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 50' ' ' ASN . 5.0 mp -75.75 -64.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -47.57 -36.75 11.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 43' ' ' TYR . 25.3 mm -73.38 -36.54 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' CB ' HD23 ' A' ' 11' ' ' LEU . . . -68.1 -60.23 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.4 HD22 ' CG2' ' A' ' 46' ' ' ILE . 50.9 m-80 -41.51 -51.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 mtm -53.38 -54.27 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.3 mtp -57.09 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -44.96 -25.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.29 -49.55 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -46.76 -61.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -107.15 84.17 1.59 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.34 -57.9 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -8.51 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m 63.66 27.65 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.17 -7.54 81.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.569 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -49.66 -60.55 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.6 -56.84 18.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.94 -40.08 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.63 -44.18 67.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.5 mt -51.38 -55.66 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -52.53 -47.91 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -52.56 -35.89 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 66.9 m -76.9 -26.52 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.68 -59.58 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -40.64 -34.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.05 127.94 43.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.74 37.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.56 -15.75 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.2 mt -107.79 -17.66 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -47.62 -54.09 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -46.83 -28.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NE ' ' SG ' ' A' ' 16' ' ' CYS . 17.1 tpp180 -82.63 -44.78 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.26 -51.9 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -28.97 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.7 mt -77.93 -33.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.52 -38.71 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LYS . 45.9 mttm -62.05 -56.44 18.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' LYS . 16.1 tptp -35.24 -50.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.11 -47.57 70.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' SER . 73.1 ttt-85 -50.11 -76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 86' ' ' ARG . 1.0 OUTLIER 30.92 38.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.794 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 86' ' ' ARG . 2.2 pt-20 -103.59 96.65 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 p 60.23 25.02 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.22 160.86 42.73 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.94 2.12 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -125.49 41.22 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -140.38 166.68 24.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 68.26 38.41 2.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -139.0 119.67 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.95 160.73 24.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -122.43 174.06 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -100.6 51.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.42 54.75 0.54 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 mt -103.31 153.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.4 t -134.63 143.19 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.94 -24.02 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.4 tp -86.93 -32.87 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -43.75 -24.63 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.32 -21.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.59 -64.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -47.37 -31.89 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.64 -57.44 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.8 pt -69.02 152.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' HIS . 11.4 m120 -83.15 154.03 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -41.34 -26.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASN . 18.7 t60 -55.32 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -70.4 -43.11 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 12.9 t80 -47.29 -39.42 14.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -55.49 -41.98 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.77 -45.48 89.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -51.95 -47.49 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' NZ ' ' CE2' ' A' ' 22' ' ' PHE . 22.8 mtmt -59.87 -29.2 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -71.92 -33.99 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.11 -24.42 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.04 -19.1 18.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.77 -42.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -50.35 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -69.79 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.2 mt -60.22 -13.08 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 61.85 35.92 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.92 171.29 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' ASP . 1.8 mm-40 -100.76 106.28 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 77.8 mtp180 -34.97 -32.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.7 p-10 -83.3 -49.1 9.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.796 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 18.9 m120 -92.99 41.79 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 32.9 mt-30 -86.92 -49.72 7.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.03 -42.33 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.71 -24.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 30.9 m-85 -69.42 162.93 26.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -111.85 -176.74 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.535 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 21.8 p -77.22 -19.89 56.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.2 mt -83.12 -70.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' ILE . 17.6 mt-30 -33.8 -55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.76 -44.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -51.38 -59.43 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.03 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' MET . 42.0 m-20 -46.94 -67.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' ASN . 8.1 mtm -36.57 -45.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 56.3 mtp -67.47 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -38.62 -28.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' MET . 62.5 mm-40 -92.44 -47.79 6.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -53.9 -44.42 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.94 83.65 62.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -8.25 23.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.62 -58.23 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -100.49 -19.42 16.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m 62.83 30.99 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.15 19.07 58.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 86' ' ' ARG . 27.6 tp -80.02 -71.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.98 -63.19 3.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -39.44 -38.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -77.58 -42.67 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.5 mt -51.46 -56.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.86 -43.75 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.56 -31.54 62.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.4 m -78.5 -23.76 46.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.94 -60.44 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.51 -28.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.5 t -98.25 120.75 58.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.59 2.193 . . . . 0.0 112.382 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.79 -1.15 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.14 -16.9 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -45.17 -60.5 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.86 -28.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' ALA . 7.4 tpt180 -80.45 -56.77 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' ARG . . . -36.59 -65.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 11.9 pt-20 -41.39 -47.91 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 69.1 mt -58.73 -42.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.96 -37.36 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 33.2 mttt -68.66 -49.51 58.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -37.65 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' LYS . 29.2 mm-40 -95.9 -38.47 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' NE ' ' HG2' ' A' ' 83' ' ' LYS . 17.5 ptt180 -58.12 -31.89 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -137.65 155.26 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.91 -52.76 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.0 t -53.54 -40.98 65.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.05 -176.57 53.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -31.57 20.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -141.07 176.82 8.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.0 p -141.1 134.19 29.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.442 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t -92.4 -57.8 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -87.44 129.4 35.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.54 -115.99 3.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.437 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -93.89 125.91 38.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -63.94 -57.49 9.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.3 42.24 9.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mt -93.93 126.07 46.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 111.166 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.43 150.88 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.43 -30.6 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -41.38 97.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LEU . 18.6 mtp180 -53.67 -21.77 7.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.37 -26.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ARG . 18.2 mt -83.96 -51.52 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.46 -37.52 72.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -44.88 -55.97 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.7 pt -68.95 138.25 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -63.54 156.68 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -53.27 -18.85 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -62.71 -60.28 3.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 15.4 m-85 -70.73 -42.9 69.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 23.0 t80 -43.22 -38.65 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -52.51 -47.05 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.36 -56.1 26.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' HD21 ' A' ' 29' ' ' LEU . 23.3 t80 -42.31 -49.57 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -58.9 -38.62 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -67.0 -28.96 68.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 mt -79.72 -35.43 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD21 ' CE1' ' A' ' 25' ' ' PHE . 4.3 mm? -87.95 -22.83 24.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.93 -49.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -53.25 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.22 -63.06 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.6 mt -55.58 -23.57 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.2 t-20 71.43 35.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' HE1' ' A' ' 51' ' ' MET . 13.8 mt -72.58 169.44 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ASP . 18.7 mt-10 -97.07 97.93 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 63.9 mtt85 -35.55 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' GLU . 19.1 t0 -90.38 -50.31 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.582 ' ND2' ' NE2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -90.26 40.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 27.5 mt-30 -87.14 -17.04 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -66.08 -43.2 88.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.582 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 11.0 pt20 -53.04 -41.05 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -67.1 138.17 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -126.13 168.32 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.8 p -45.2 -25.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -76.02 -65.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.1 -51.68 51.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.0 mm -55.5 -43.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.27 -62.84 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -47.4 -49.97 23.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.456 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 6.9 mtm -52.25 -36.62 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 38.8 mtp -75.28 -40.02 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -49.38 -42.32 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -84.85 -44.11 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -55.24 -63.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.92 84.44 3.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.675 0.75 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -4.54 14.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.24 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -115.57 -9.18 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m 63.34 28.09 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.78 7.77 70.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.564 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.49 -44.0 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.27 -52.14 28.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -32.29 34.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -74.24 -51.35 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.5 mt -45.37 -57.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -50.21 -45.55 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.66 -31.24 64.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 m -76.78 -27.31 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.78 -53.75 42.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -44.44 -34.36 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 46.7 t -101.13 126.45 34.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.105 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -27.67 26.58 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.9 -11.58 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.1 mt -109.36 -12.57 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -61.18 -14.17 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -75.16 -25.84 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.83 -43.35 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.52 14.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.05 -33.4 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.0 -42.58 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.26 -47.87 54.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LYS . 12.5 mtpt -54.76 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' LYS . 7.3 tppt? -35.67 -56.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -57.56 -49.26 76.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -40.0 -58.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 p -78.02 135.83 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -124.19 -42.54 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.0 m -98.86 4.66 47.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.13 -158.74 18.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 128.3 15.8 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -124.72 147.36 48.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.7 p -133.91 135.52 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.431 -179.897 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -50.14 99.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -55.4 158.19 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.26 -106.34 0.42 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.411 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m -74.53 144.79 43.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -107.46 38.62 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.88 86.81 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.543 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.4 mt -133.69 132.05 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 111.171 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.1 p -130.48 161.17 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.97 -24.24 2.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -32.63 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -52.96 -15.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.38 -17.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.4 mt -92.52 -55.61 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.298 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' CYS . 6.4 mm-40 -59.52 -41.84 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.5 t -37.11 -63.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 pt -60.34 136.8 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' HIS . 79.4 m-20 -56.11 143.38 33.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -39.49 -29.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 22.9 t60 -53.31 -54.45 36.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.498 ' CD2' HD23 ' A' ' 75' ' ' LEU . 16.8 m-85 -74.49 -46.79 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -41.74 -45.71 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -54.54 -47.11 73.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.76 -51.19 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -47.86 -45.49 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.99 -35.68 79.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -66.82 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.08 -37.69 81.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' ' HE2' ' A' ' 52' ' ' MET . 4.3 mm? -84.37 -23.07 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -33.94 -51.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -51.57 -61.76 2.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -62.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.58 -11.44 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.2 m120 55.93 38.41 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.87 -178.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -74.4 125.89 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtt-85 -32.99 -52.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -128.72 -27.18 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.468 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -76.72 45.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.92 -29.11 35.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.71 -39.86 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 4.0 pt20 -48.17 -31.48 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -77.49 154.68 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' THR . 73.5 p -119.78 149.45 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 33.3 p -35.89 -34.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG21 ' ND2' ' A' ' 50' ' ' ASN . 5.1 mp -66.38 -66.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -44.54 -41.15 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.3 mm -70.0 -28.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -78.12 -48.12 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' ND2' HG21 ' A' ' 46' ' ' ILE . 59.1 m-80 -61.94 -42.81 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.3 mtm -60.12 -46.16 90.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.467 ' HE2' ' CD1' ' A' ' 29' ' ' LEU . 27.2 mtp -67.06 -43.66 82.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -40.85 -38.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -94.44 -46.91 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 45.4 tptt -42.76 -52.91 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 55' ' ' LYS . 1.5 m-85 -118.81 88.03 34.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -2.99 11.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -57.61 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 6.9 p30 -124.84 25.98 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.7 p 39.25 30.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 84.35 -25.68 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ASP . 25.2 tp -39.07 -48.28 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.73 -54.92 30.17 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -53.26 -33.28 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.49 -50.29 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.4 mt -49.42 -49.99 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.42 -43.64 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.8 -32.31 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 81.9 m -76.82 -38.96 52.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.23 -53.83 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -49.41 -23.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.99 130.0 23.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.698 0.761 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -28.93 24.82 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.96 58.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 21' ' ' TYR . 60.8 mt -106.46 -21.36 13.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -49.35 -50.71 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -55.78 -23.1 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -87.09 -42.62 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.96 -64.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -41.99 -48.11 4.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.488 ' N ' ' OE1' ' A' ' 80' ' ' GLU . 71.8 mt -53.14 -44.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.58 -16.84 62.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -83.29 -39.74 20.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -53.99 -55.01 31.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ARG . 17.3 pt-20 -66.83 -44.27 81.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' GLU . 62.7 ttt-85 -35.52 -59.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -92.97 140.69 29.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.62 83.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.8 t 46.83 42.77 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -43.68 146.39 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 118.23 5.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.739 2.293 . . . . 0.0 112.367 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -125.9 113.3 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -112.83 115.75 28.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.728 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -50.93 -19.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.22 -21.49 0.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.77 -59.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.4 -24.89 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.8 -51.54 69.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 pt -74.23 158.94 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 19' ' ' LYS . 5.7 m120 -80.39 143.57 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' ASN . 9.6 tmtm? -36.32 -38.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -49.16 -66.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.577 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.0 m-85 -58.94 -41.89 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -45.9 -50.97 13.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -44.2 -45.8 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.4 mp -60.01 -44.81 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -54.18 -45.05 72.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 35' ' ' LEU . 41.7 mtmt -62.46 -33.06 74.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -69.32 -42.8 74.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -67.8 -23.75 65.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.66 HD11 ' HE2' ' A' ' 64' ' ' LYS . 4.5 mm? -99.04 -16.51 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.45 -39.2 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.11 -48.91 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.41 -62.64 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.37 -16.39 64.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.0 t30 66.91 35.41 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 26' ' ' LYS . 79.8 mt -55.52 177.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 4.1 mm-40 -69.18 177.42 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.89 -34.09 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.24 -1.9 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 25.6 m-20 -108.21 35.32 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -86.36 -10.58 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.7 -33.63 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.53 -12.48 32.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -80.16 170.05 16.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' ILE . 46.5 p -141.53 150.77 42.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.8 p -39.93 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.2 mm -69.54 -67.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -49.32 -36.48 21.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.2 mm -73.68 -37.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.728 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.12 -57.5 12.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -53.08 -41.26 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.0 mtm -57.37 -43.03 83.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtp -71.5 -39.47 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.07 -54.76 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.58 -53.07 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 28.5 tptt -52.06 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.28 82.5 1.22 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.92 27.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.299 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.29 11.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -120.69 -14.63 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 71.22 29.6 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.82 9.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.7 tp -41.26 -52.31 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -63.52 -60.58 7.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.521 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.66 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -45.75 -35.23 4.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -74.77 -56.7 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.45 HD12 ' HA2' ' A' ' 63' ' ' GLY . 31.4 mt -34.37 -48.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.18 -51.12 70.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -48.22 -26.88 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.3 m -84.34 -37.12 21.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.96 -47.08 81.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 72' ' ' VAL . 5.8 pt-20 -54.52 -40.18 68.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.6 t -86.62 132.67 41.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 -27.88 26.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.23 -6.2 59.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -115.35 -19.37 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -50.84 -36.36 37.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -61.67 -33.96 74.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -85.17 -41.13 15.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.92 -48.97 8.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -36.11 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.21 -37.05 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt -69.74 -50.58 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HE2' ' CG2' ' A' ' 66' ' ' ILE . 70.4 mttt -45.93 -54.56 8.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -39.9 -45.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.695 HD11 ' HB1' ' A' ' 49' ' ' ALA . 6.0 tt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -44.45 -22.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.61 12.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -71.24 -49.66 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.62 -28.83 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.62 -57.29 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 HD22 ' A' ' 75' ' ' LEU . 20.0 pt -66.87 151.87 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -69.74 154.94 41.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -51.09 -35.54 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -53.69 -55.79 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -67.68 -35.12 78.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 26.1 t80 -51.19 -40.81 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 t -54.38 -46.54 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -49.06 79.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CE1' HD21 ' A' ' 29' ' ' LEU . 11.6 t80 -50.79 -46.12 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.73 -25.8 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -74.45 -40.57 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.57 -25.54 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 64' ' ' LYS . 3.0 mm? -94.56 -20.18 19.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -40.92 -39.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -71.1 -48.99 49.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.28 -62.98 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD21 ' HG2' ' A' ' 52' ' ' MET . 58.8 mt -68.5 -5.14 17.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 52.98 48.54 22.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 30' ' ' ALA . 8.6 mt -73.94 170.86 14.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' ASN . 13.8 mt-10 -95.52 99.37 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -40.76 -25.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' GLU . 68.2 m-20 -92.57 -34.11 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.548 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.1 t-20 -111.46 44.82 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -87.03 -22.04 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.76 -48.56 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.548 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 5.8 pt20 -46.45 -29.22 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 24.7 m-85 -74.65 150.29 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -130.94 165.84 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 76.3 p -44.7 -25.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mm -74.04 -69.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -45.9 -55.03 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 33' ' ' LEU . 26.3 mm -55.37 -42.71 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.695 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -57.21 -30.44 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -73.66 -59.05 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.599 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -44.55 -45.8 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.752 ' HG2' HD21 ' A' ' 33' ' ' LEU . 42.0 mtp -66.03 -53.15 42.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -42.19 -28.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -93.2 -51.49 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -48.12 -61.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.22 83.61 1.47 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.59 5.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.62 -54.64 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -19.69 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 62.34 29.45 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.6 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 tp -58.58 -70.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -51.33 -40.22 45.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HG2' HD11 ' A' ' 29' ' ' LEU . 14.0 tptt -59.63 -42.47 92.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.564 HD12 HD13 ' A' ' 82' ' ' LEU . 3.5 tm? -66.18 -49.32 67.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.537 HD12 ' HA2' ' A' ' 63' ' ' GLY . 18.6 mt -43.61 -50.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.0 -54.39 43.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -43.81 -37.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.616 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 59.4 m -77.96 -37.85 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.61 -50.39 60.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.52 -45.67 77.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 74' ' ' ALA . 16.1 t -83.2 121.93 77.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -4.46 14.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.662 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -99.32 -21.72 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 17' ' ' ILE . 34.7 mt -102.52 -16.27 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -48.01 -34.68 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 80' ' ' GLU . 19.7 ttpt -51.98 -52.48 50.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.5 mmt-85 -67.59 -40.66 84.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -47.73 -54.63 11.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 5.8 pt-20 -57.99 -24.35 57.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.77 -40.75 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.564 HD13 HD12 ' A' ' 65' ' ' LEU . 19.5 mt -64.09 -28.11 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 66' ' ' ILE . 62.3 mttt -73.42 -54.12 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -39.54 -50.89 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.976 HD11 ' HB1' ' A' ' 49' ' ' ALA . 5.6 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -52.62 -28.86 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.52 -35.08 2.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -68.23 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.73 0.3 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.88 -30.45 58.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 t -49.36 -57.51 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.58 HG22 HD22 ' A' ' 75' ' ' LEU . 17.6 pt -65.06 136.65 26.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 9.5 m120 -60.88 145.53 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.9 tptt -38.08 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -47.13 -50.9 19.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.516 ' HA ' HD13 ' A' ' 24' ' ' LEU . 19.5 m-85 -73.11 -51.0 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 36.7 t80 -40.23 -47.97 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -47.5 -42.5 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.9 mp -63.34 -56.46 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.445 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.8 t80 -39.82 -48.95 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.5 mtmt -55.1 -44.32 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -65.04 -32.15 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 25' ' ' PHE . 14.4 mt -79.3 -26.07 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.654 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.2 mm? -98.4 -16.89 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.581 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -38.25 -50.52 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -60.86 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -63.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD1' HG23 ' A' ' 48' ' ' ILE . 49.9 mt -61.39 -20.54 63.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.4 m120 72.22 38.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 30' ' ' ALA . 7.3 mt -74.72 165.22 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' ASP . 2.1 mp0 -90.4 98.61 11.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -39.48 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.9 p30 -93.58 -36.98 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -107.95 46.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' A' ' 30' ' ' ALA . 11.4 mt-30 -86.81 -20.94 26.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.0 pp20? -66.81 -51.03 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 39' ' ' ASN . 5.6 pt20 -45.55 -28.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 22.5 m-85 -75.99 142.79 41.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -122.93 167.63 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 7.9 p -51.14 -26.38 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' ALA . 22.9 mm -77.98 -69.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -43.78 -37.16 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.422 HG23 ' CD1' ' A' ' 33' ' ' LEU . 17.1 mm -73.76 -31.4 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.976 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -61.36 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -46.36 -55.2 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 mtm -44.85 -50.02 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.2 mtp -62.81 -52.25 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.42 -33.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -93.03 -31.86 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.3 tptp -63.81 -56.08 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -116.51 83.68 13.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.26 5.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.5 -52.69 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -122.85 6.25 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.96 26.16 3.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.11 -20.26 50.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.0 tp -39.01 -37.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.0 -58.96 3.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.654 ' HG2' HD11 ' A' ' 29' ' ' LEU . 6.6 tptm -46.05 -36.68 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -67.33 -51.49 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.431 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 51.9 mt -41.4 -58.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.6 -57.27 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -39.86 -47.09 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.634 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 74.8 m -67.78 -52.76 33.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.07 -57.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -47.36 -48.9 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 21' ' ' TYR . 2.9 t -84.49 128.17 62.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -22.46 32.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -83.35 -6.64 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.58 HD22 HG22 ' A' ' 17' ' ' ILE . 58.6 mt -120.11 -20.34 7.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -44.15 -27.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -42.87 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -73.72 -34.66 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -55.09 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.28 -55.06 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.2 mt -46.79 -42.41 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 66' ' ' ILE . 66.4 mttt -43.06 -36.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -59.51 -44.72 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.022 HD11 ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.756 0.313 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.0 ttm180 -35.0 -34.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -40.03 -47.36 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.11 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -47.72 -39.5 17.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 t -40.02 -57.27 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.454 HD13 ' HE2' ' A' ' 68' ' ' PHE . 6.0 pt -75.42 133.52 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.15 155.79 13.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -45.36 -44.8 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -40.93 -63.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CE2' HD21 ' A' ' 75' ' ' LEU . 28.7 m-85 -64.81 -44.43 89.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 25.0 t80 -42.6 -44.88 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -48.44 -41.86 30.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.32 -35.88 78.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 33.0 t80 -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 36.0 mtmt -57.73 -36.82 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 t -62.83 -44.58 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.08 -30.04 70.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.2 mm? -88.86 -25.11 22.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.38 -52.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.32 -54.31 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 51' ' ' MET . 69.1 mt -72.97 2.68 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 99.1 m-20 46.79 41.6 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 26' ' ' LYS . 68.5 mt -57.92 176.85 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 5.9 mm-40 -70.21 164.38 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -31.89 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.37 -29.85 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.461 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 9.3 m120 -80.77 44.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -86.96 -39.22 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.26 -43.85 80.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 39' ' ' ASN . 4.6 pt20 -45.57 -26.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -73.08 163.93 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.8 p -136.73 158.49 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 71.7 p -43.51 -35.79 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.95 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.76 -44.49 48.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.91 -39.74 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.022 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -58.08 -67.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ALA . 36.3 m-80 -36.38 -48.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.636 ' HB3' HD22 ' A' ' 33' ' ' LEU . 29.4 mtm -58.27 -44.27 88.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ALA . 38.1 mtp -67.72 -39.82 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -41.47 51.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.41 -44.32 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tptp -58.15 -61.35 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.8 m-85 -108.99 83.05 2.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.13 -58.68 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -118.83 -6.98 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m 68.79 25.01 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.441 ' HA2' ' HE2' ' A' ' 52' ' ' MET . . . 108.11 -37.3 3.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.423 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 tp -39.1 -54.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.71 -67.24 2.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.48 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -42.76 -35.48 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.3 tm? -72.43 -51.89 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.2 mt -41.46 -53.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -57.98 -48.72 79.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.454 ' HE2' HD13 ' A' ' 17' ' ' ILE . 22.0 t80 -47.97 -28.79 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.7 m -78.99 -38.63 36.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLU . 14.8 mm-40 -49.18 -61.31 2.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' GLU . 13.8 pt-20 -37.67 -38.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 74' ' ' ALA . 3.4 t -89.77 129.5 46.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.733 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.91 27.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.37 -23.25 37.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.474 HD21 ' CE2' ' A' ' 21' ' ' TYR . 73.1 mt -94.86 -29.32 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LEU . 49.2 mtp180 -34.53 -60.68 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -45.2 -44.07 10.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.751 ' HA ' HD12 ' A' ' 81' ' ' ILE . 18.2 tpp180 -65.62 -41.8 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.44 -63.84 1.02 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.1 pt-20 -45.77 -37.41 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 78' ' ' ARG . 57.7 mt -64.16 -43.31 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.05 -50.73 70.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -50.45 -44.9 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -39.01 -47.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.85 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.7 ttt180 -43.93 -27.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' ARG . . . -36.85 -28.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' ARG . 29.7 mt -83.28 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.31 -24.79 60.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -54.98 -59.6 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.403 HG22 HD22 ' A' ' 75' ' ' LEU . 12.3 pt -66.83 161.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.6 t-20 -86.8 143.13 27.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' ASN . 26.0 mmtt -34.54 -42.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' HA ' HD13 ' A' ' 24' ' ' LEU . 24.2 m-85 -72.7 -42.87 63.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 21.1 t80 -44.23 -49.93 9.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -43.92 -51.71 7.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 24' ' ' LEU . 6.0 mp -55.35 -49.6 71.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.11 -43.68 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 35' ' ' LEU . 45.1 mtmt -63.14 -46.88 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -55.07 -37.92 67.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.99 -48.8 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.738 HD21 ' HG2' ' A' ' 64' ' ' LYS . 3.8 mm? -75.26 -13.96 60.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -43.74 -47.22 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -56.28 -60.96 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.2 -63.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 51' ' ' MET . 95.0 mt -60.67 -16.74 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 30' ' ' ALA . 45.1 t30 63.0 36.08 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 26' ' ' LYS . 23.2 mt -58.29 -178.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASP . 7.5 mt-10 -119.32 110.46 17.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 38' ' ' ASP . 3.8 ptp180 -36.32 -32.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -86.93 -50.99 6.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.589 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 3.2 t-20 -75.74 4.61 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' GLU . 28.2 mt-30 -80.84 -11.74 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.98 -14.1 26.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.518 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 9.5 pt20 -100.49 -44.2 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 17.8 m-85 -42.49 129.25 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.6 p -97.52 160.72 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 p -47.79 -22.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.62 -62.16 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -48.3 -50.81 28.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mm -58.24 -36.7 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.85 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.5 -37.31 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.88 -53.03 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.735 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.1 mpp? -52.11 -62.72 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.574 ' HG2' HD21 ' A' ' 33' ' ' LEU . 68.4 mtp -52.81 -41.89 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.43 -37.56 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -84.23 -43.48 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' HD23 ' A' ' 33' ' ' LEU . 14.9 mmmt -54.88 -60.75 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -112.23 83.5 5.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.68 5.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.6 -54.98 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -11.91 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 61.92 31.84 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.95 -12.19 58.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 tp -40.49 -49.05 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.06 -60.29 8.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HG2' HD21 ' A' ' 29' ' ' LEU . 9.1 tppt? -44.83 -36.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.8 tm? -71.68 -53.38 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.5 mt -45.79 -58.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -51.15 -44.49 61.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.71 -27.86 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' ARG . 93.8 m -83.69 -19.51 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -79.2 -37.12 39.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -63.44 -12.59 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 73' ' ' PRO . 2.0 t -113.25 135.84 21.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.445 ' HD2' ' CG1' ' A' ' 72' ' ' VAL . 53.0 Cg_endo -69.79 -13.35 34.48 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.17 -27.25 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' CYS . 28.9 mt -91.23 -23.66 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 69' ' ' CYS . 8.4 mtt-85 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -63.65 -51.32 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.99 -38.39 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.19 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -48.22 -32.75 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.69 -45.15 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.92 -36.2 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -68.45 -32.69 72.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -57.17 -34.82 68.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.811 0.338 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 14' ' ' LEU . 24.7 ttt180 -47.14 -21.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.88 -24.21 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' ARG . 9.0 mt -91.82 -63.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HA ' HG21 ' A' ' 45' ' ' THR . 7.5 tm-20 -49.96 -19.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.65 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.68 134.08 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.46 154.97 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -51.82 -18.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -66.68 -51.46 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.576 ' HA ' HD13 ' A' ' 24' ' ' LEU . 10.5 m-85 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 15.4 t80 -52.13 -45.42 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -50.16 -36.05 28.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.8 mp -70.46 -42.56 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 32.3 t80 -56.77 -44.45 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 38.0 mtmt -62.13 -31.04 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 t -67.99 -34.3 76.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.31 -27.02 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -92.58 -22.28 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.1 -47.12 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.478 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.13 -50.03 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.75 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 94.7 mt -73.17 1.62 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 2.7 p-10 47.21 39.94 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 26' ' ' LYS . 32.1 mt -56.7 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 177.45 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -88.46 -52.39 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -122.26 -3.57 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.464 HD21 ' HA ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -103.24 34.28 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.42 -10.86 55.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -80.76 -48.8 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -45.17 -27.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.23 160.44 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -132.6 162.57 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 25.1 p -50.5 -22.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -75.62 -68.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.92 -40.95 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.07 -42.56 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 11' ' ' LEU . . . -52.77 -57.39 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -54.05 -43.12 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.419 ' HB3' HD22 ' A' ' 33' ' ' LEU . 12.8 mtm -55.54 -36.31 66.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.9 mtp -79.08 -45.26 20.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -43.24 -49.92 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 55' ' ' LYS . 2.6 pp20? -76.3 -52.91 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 tppt? -52.12 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.42 82.45 1.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -0.03 6.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 0.0 112.409 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.89 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.59 -4.22 9.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m 57.74 31.71 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.73 -27.43 18.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.86 -45.18 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.03 -62.21 3.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' HD21 ' A' ' 29' ' ' LEU . 28.6 tptt -45.43 -35.35 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.6 tm? -72.8 -58.57 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 65' ' ' LEU . 19.2 mt -34.89 -49.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.33 -46.36 83.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 62.5 t80 -53.58 -30.63 43.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.5 m -76.26 -26.59 56.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' VAL . 50.3 mt-10 -64.34 -62.16 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CG ' HG23 ' A' ' 72' ' ' VAL . 8.0 pt-20 -39.1 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 74' ' ' ALA . 18.5 t -107.46 123.3 38.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.17 35.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.528 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.57 -20.15 40.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.4 -17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -51.62 -25.6 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.65 -35.35 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -81.13 -45.49 16.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.61 -44.39 8.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.16 -33.7 76.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.79 -40.83 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.82 -55.86 9.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -49.15 -48.42 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.801 0.334 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -47.42 -20.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.93 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.0 mt -84.72 -56.86 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.65 -31.82 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 m -50.94 -50.46 57.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.504 HG22 HD22 ' A' ' 75' ' ' LEU . 17.7 pt -71.75 130.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' LYS . 19.1 m120 -53.89 136.86 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -34.96 -37.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -45.52 -59.32 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.69 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 5.1 m-85 -67.97 -48.49 65.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 34.4 t80 -43.08 -42.75 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -53.01 -38.76 62.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.8 mp -66.72 -45.72 77.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE1' HD21 ' A' ' 29' ' ' LEU . 11.7 t80 -53.65 -44.33 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.0 mtmt -60.66 -35.78 77.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.25 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -74.42 -30.21 61.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 25' ' ' PHE . 3.3 mm? -91.32 -22.21 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.03 -49.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.18 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.55 -61.58 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 51' ' ' MET . 49.6 mt -65.85 -10.62 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 4.8 m120 55.72 37.53 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 160.01 21.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ASP . 13.4 mt-10 -80.52 100.42 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HA ' ' CD ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -42.02 -23.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -96.9 -38.14 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.552 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.2 t-20 -106.61 48.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CD ' ' HA ' ' A' ' 37' ' ' ARG . 28.7 mt-30 -86.67 -25.12 24.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.66 -47.78 44.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.552 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 4.2 pt20 -45.07 -24.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.19 152.64 32.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -128.86 157.52 41.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 p -41.57 -28.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.8 mm -71.27 -69.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -46.08 -45.29 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.76 -38.33 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -47.91 -40.69 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.627 ' HB3' HD22 ' A' ' 33' ' ' LEU . 13.6 mtm -61.93 -37.13 83.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -76.49 -31.22 57.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.16 -39.51 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.597 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -62.26 -53.27 57.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -118.98 84.05 25.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.01 -54.91 12.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.13 -14.86 9.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m 67.38 31.75 6.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.54 -34.71 5.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 tp -39.57 -46.89 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.16 -69.1 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG2' HD11 ' A' ' 29' ' ' LEU . 12.0 tptp -39.38 -34.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' ILE . 2.9 tm? -74.07 -60.3 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' LEU . 56.2 mt -34.96 -55.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -51.58 -53.03 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -47.36 -32.3 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.758 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 58.7 m -74.79 -31.92 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.35 -54.84 42.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -50.29 -39.1 44.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.69 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 3.2 t -87.23 122.22 71.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.57 16.48 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.749 2.299 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.519 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -102.74 -15.18 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD22 HG22 ' A' ' 17' ' ' ILE . 67.2 mt -105.12 -19.76 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -46.58 -39.62 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -52.01 -48.96 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.17 -38.73 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -48.01 -64.82 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.63 -45.17 48.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.24 -41.11 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.72 -42.4 97.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.75 -48.98 79.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -39.65 -50.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 49' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.8 mmm180 -45.14 -21.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 11' ' ' LEU . . . -42.23 -24.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 15.2 mt -92.43 -51.03 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.87 -13.83 60.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -66.81 -42.39 85.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.2 pt -86.78 131.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.31 156.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -51.07 -22.64 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -59.78 -57.35 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.522 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.6 m-85 -71.3 -45.24 63.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 11.1 t80 -42.4 -44.53 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -52.27 -55.83 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.554 ' H ' HD12 ' A' ' 24' ' ' LEU . 7.1 mp -48.25 -49.93 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.44 -47.97 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -56.08 -28.89 59.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -73.46 -43.76 59.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.2 mt -67.61 -28.25 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.4 mm? -94.11 -17.46 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.2 -38.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.6 -48.78 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.34 -62.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.0 -11.71 41.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 60.5 37.57 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.91 166.07 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ASP . 10.0 mt-10 -91.98 98.71 11.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -38.38 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' GLU . 5.3 m-20 -91.84 -40.71 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.544 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 11.9 t-20 -102.98 46.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -87.01 -21.43 26.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 15.0 pt-20 -76.03 -48.17 22.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.544 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 6.0 pt20 -45.43 -29.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 33.6 m-85 -72.84 158.95 34.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' ILE . 67.1 p -138.14 156.89 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.2 p -41.52 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.9 mm -76.55 -69.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -47.44 -39.7 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mm -70.33 -36.5 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -57.55 -65.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -45.67 -61.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.7 mtm -43.47 -35.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -78.3 -46.19 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -42.73 -42.88 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LYS . 13.9 mt-10 -84.77 -54.17 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' GLU . 43.9 tptt -37.01 -52.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -114.18 87.73 13.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 2.19 3.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.299 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.72 -56.99 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.52 17.35 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p 46.14 27.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 -28.58 10.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.4 tp -40.95 -53.12 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.12 52.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.507 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' HD21 ' A' ' 29' ' ' LEU . 7.5 tppt? -56.86 -40.7 76.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.2 tm? -68.62 -50.67 49.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mt -42.13 -57.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -50.93 -45.99 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.55 -28.17 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 79' ' ' ALA . 5.1 m -83.26 -16.24 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.41 -43.99 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.41 -14.24 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.654 HG12 ' H ' ' A' ' 74' ' ' ALA . 15.4 t -110.36 120.41 44.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.9 -6.42 18.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.654 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -102.0 -7.54 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.1 mt -117.89 -13.56 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -54.23 -23.0 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -66.21 -42.91 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -78.97 -37.52 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . . . -45.1 -60.64 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -52.5 -41.89 63.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.87 -38.27 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.403 HD23 ' OE2' ' A' ' 85' ' ' GLU . 49.9 mt -70.46 -31.86 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.28 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -66.01 -54.6 23.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.999 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' OE2' HD23 ' A' ' 82' ' ' LEU . 11.9 pt-20 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.525 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.1 ttt85 -46.7 -25.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.47 -25.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ARG . 23.9 mt -89.22 -61.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -48.07 -41.8 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.8 t -45.54 -56.21 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 21.0 pt -71.17 143.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -73.18 153.59 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -41.34 -33.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -49.11 -61.1 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' HA ' HD13 ' A' ' 24' ' ' LEU . 17.9 m-85 -69.84 -45.36 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 27.9 t80 -45.9 -42.09 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -55.9 -37.19 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.0 mp -67.67 -46.73 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.0 t80 -53.18 -45.52 68.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ALA . 31.3 mtmt -57.4 -35.38 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.7 t -70.06 -35.35 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 25' ' ' PHE . 8.3 mt -74.45 -25.45 59.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -99.82 -21.95 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.95 -51.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.22 -51.44 68.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -61.48 -62.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.544 HD21 ' HG2' ' A' ' 52' ' ' MET . 21.9 mt -74.17 3.93 6.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.413 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 25.9 t30 43.59 44.71 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.76 173.88 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 40' ' ' GLN . 4.5 mm-40 -111.8 108.26 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' GLU . 85.7 mtt180 -35.92 -41.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -42.92 69.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.751 ' ND2' ' CE2' ' A' ' 43' ' ' TYR . 2.3 t30 -91.32 6.87 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 26.1 mt-30 -74.57 -15.56 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' GLN . 7.8 pt-20 -94.58 -55.36 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 39' ' ' ASN . 6.4 pt20 -54.31 -40.15 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.751 ' CE2' ' ND2' ' A' ' 39' ' ' ASN . 1.6 m-85 -38.8 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.7 p -120.58 152.11 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.4 p -45.31 -29.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.98 -65.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -41.13 -53.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.66 -39.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.66 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' MET . 61.1 m-80 -43.97 -67.36 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' ASN . 14.2 mtm -36.9 -41.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.544 ' HG2' HD21 ' A' ' 33' ' ' LEU . 72.9 mtp -72.54 -57.78 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -38.4 -35.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.84 -45.77 10.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 38.7 tptt -52.57 -42.4 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -127.75 84.26 63.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -0.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.81 -51.46 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.27 -12.65 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.7 p 47.63 29.13 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.77 -23.8 21.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.4 tp -45.1 -65.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -54.06 -60.74 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG2' HD11 ' A' ' 29' ' ' LEU . 1.8 tppt? -44.65 -40.88 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.788 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tm? -72.15 -41.31 67.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.538 HD12 ' HA2' ' A' ' 63' ' ' GLY . 56.7 mt -49.48 -55.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.196 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.72 -44.53 69.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -52.08 -34.59 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.8 m -76.81 -41.63 43.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.77 -60.19 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 72' ' ' VAL . 4.3 pt-20 -39.86 -41.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 75' ' ' LEU . 2.4 t -88.72 130.09 46.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -21.66 33.38 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.709 2.272 . . . . 0.0 112.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -5.92 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.5 HD12 HG21 ' A' ' 72' ' ' VAL . 90.7 mt -114.72 -17.01 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -51.5 -25.8 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -62.6 -37.0 84.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -78.16 -49.0 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.09 -65.74 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 20.0 pt-20 -44.27 -51.85 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 80' ' ' GLU . 74.8 mt -55.27 -49.88 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.82 -60.39 3.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -46.2 -43.28 15.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 14.5 tmtt? -47.8 -48.64 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.786 0.326 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -55.57 -16.04 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.4 -29.12 30.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.47 -50.6 9.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.1 -35.69 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 m -46.43 -57.72 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 pt -67.17 144.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' HIS . 50.6 m-80 -71.24 143.23 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' ASN . 44.4 mmtm -36.56 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' ASN . 41.8 t60 -55.19 -57.58 11.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.437 ' HA ' HD13 ' A' ' 24' ' ' LEU . 14.6 m-85 -67.95 -43.01 80.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 21.9 t80 -45.93 -39.63 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -57.27 -39.97 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.0 mp -66.55 -43.52 84.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.82 -44.27 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 28.2 mtmt -61.43 -21.79 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.5 t -72.5 -45.7 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.29 -28.48 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.645 HD11 ' HE2' ' A' ' 64' ' ' LYS . 2.9 mm? -89.6 -27.6 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -36.83 -46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.6 -53.0 61.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -65.39 -63.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 51' ' ' MET . 22.1 mt -61.2 -22.34 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 74.81 27.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.16 177.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mm-40 -63.08 148.81 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' NE ' ' HB3' ' A' ' 38' ' ' ASP . 3.0 ppt_? -64.91 -37.39 87.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.476 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 4.8 t70 -134.02 -34.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -76.44 49.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 9.0 mt-30 -86.44 -35.86 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -44.36 -39.41 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -50.09 -41.11 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -62.06 140.91 58.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.6 p -104.82 -174.78 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 p -74.17 -28.17 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.8 mt -74.58 -70.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 46' ' ' ILE . 67.8 mt-30 -33.6 -57.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.9 mm -55.15 -43.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.45 -47.02 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' GLU . 37.4 m-80 -62.94 -64.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.407 ' HB3' HD22 ' A' ' 33' ' ' LEU . 22.4 mtm -39.58 -39.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.453 ' HE2' ' HA2' ' A' ' 61' ' ' GLY . 32.2 mtp -74.41 -35.45 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASN . 6.5 mt-10 -58.45 -36.87 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 50' ' ' ASN . 1.7 pm0 -92.31 -33.7 14.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 17.6 tptm -66.88 -59.96 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -113.67 84.06 7.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.66 10.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.73 -57.99 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.6 -1.76 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.6 m 54.49 30.81 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.453 ' HA2' ' HE2' ' A' ' 52' ' ' MET . . . 100.99 -27.43 20.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 tp -38.96 -63.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.34 5.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.562 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.645 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.44 -38.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.2 tm? -68.98 -53.8 18.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.496 HD13 ' HG2' ' A' ' 83' ' ' LYS . 51.3 mt -42.12 -54.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.28 -56.31 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -40.41 -45.25 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.711 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 90.6 m -61.95 -53.45 55.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' CYS . 17.6 mt-10 -37.01 -58.43 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -45.66 -47.69 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.651 HG12 ' H ' ' A' ' 74' ' ' ALA . 13.2 t -84.69 120.34 73.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.37 6.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.651 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -105.62 -7.75 18.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.4 mt -116.07 -17.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -42.68 -43.69 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -54.66 -40.04 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.15 -40.66 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -51.88 -66.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.468 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.9 pt-20 -45.96 -52.07 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.5 mt -49.21 -36.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.02 -24.65 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HG2' HD13 ' A' ' 66' ' ' ILE . 30.3 mtmt -80.7 -41.36 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -46.33 -37.73 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.992 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.796 0.331 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . 28.3 ttt-85 -35.15 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -36.06 -31.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ARG . 38.4 mt -84.94 -57.04 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -49.21 -44.48 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.9 t -39.14 -61.78 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.485 HG22 HD22 ' A' ' 75' ' ' LEU . 30.9 pt -65.63 146.83 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 19' ' ' LYS . 3.1 m120 -79.45 150.34 31.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 2.1 mptm? -35.71 -46.09 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -40.36 -61.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.618 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 22.0 m-85 -69.51 -44.15 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 19.7 t80 -42.33 -44.28 3.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -53.54 -42.24 67.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.85 -43.69 82.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 35.8 t80 -55.01 -47.05 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.975 0.417 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 38.9 mtmt -59.72 -34.53 73.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -39.83 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.69 -34.62 74.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.529 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.5 mm? -86.47 -25.57 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.8 -49.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.83 -51.39 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 53.8 m-20 -63.69 -61.38 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.795 HD22 ' HB3' ' A' ' 51' ' ' MET . 26.0 mt -73.91 4.03 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 m120 42.63 47.4 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.09 -176.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 39' ' ' ASN . 4.5 mt-10 -82.93 -173.89 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.76 8.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -26.77 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.738 ' ND2' ' CE2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -77.1 -5.87 50.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 19.6 mt-30 -61.99 -9.7 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -88.01 -61.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' TYR . 7.2 pt20 -44.76 -47.68 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.738 ' CE2' ' ND2' ' A' ' 39' ' ' ASN . 2.3 m-85 -35.23 152.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -125.62 159.27 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.6 p -42.3 -26.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' A' ' 46' ' ' ILE . 18.5 mm -74.86 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -46.76 -43.63 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.91 -32.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.992 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.14 -67.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -38.47 -65.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.795 ' HB3' HD22 ' A' ' 33' ' ' LEU . 13.6 mtm -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.3 mtp -70.08 -43.09 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -51.62 -41.77 61.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -79.49 -38.92 33.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.768 ' HG3' HD23 ' A' ' 33' ' ' LEU . 16.5 mmtm -58.71 -52.05 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.34 84.46 56.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 0.23 5.96 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.67 2.246 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.54 -54.75 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -108.59 -11.04 15.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 p 59.05 29.52 19.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.93 -7.05 81.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.96 -51.2 54.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.57 -49.45 64.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HG2' HD21 ' A' ' 29' ' ' LEU . 1.5 tptm -49.42 -43.28 44.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 1.9 tm? -66.2 -59.82 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' LEU . 49.5 mt -34.39 -59.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -48.96 -57.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -41.04 -40.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 58.5 m -68.35 -51.22 46.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HA ' ' CG ' ' A' ' 76' ' ' ARG . 19.2 mm-40 -42.75 -50.41 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -51.39 -45.77 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.704 HG12 ' H ' ' A' ' 74' ' ' ALA . 20.4 t -86.99 123.76 69.81 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.642 0.734 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.704 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -108.48 0.54 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 HG22 ' A' ' 17' ' ' ILE . 93.4 mt -124.18 -17.1 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 6.1 mtt-85 -50.93 -32.7 21.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -53.2 -42.96 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -77.62 -42.14 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -42.32 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.434 ' C ' ' OE1' ' A' ' 80' ' ' GLU . 0.9 OUTLIER -49.68 -43.76 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.84 -46.38 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.34 -45.83 92.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -55.66 -30.45 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -64.09 -36.07 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.082 HD11 ' HB1' ' A' ' 49' ' ' ALA . 7.0 tt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -38.94 -28.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -41.65 -35.51 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.99 -65.03 0.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -49.78 -20.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.57 -53.3 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.426 HD12 ' CA ' ' A' ' 22' ' ' PHE . 7.5 pt -72.72 140.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.188 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -67.88 160.56 28.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -48.47 -22.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -60.21 -62.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.421 ' HA ' HD13 ' A' ' 24' ' ' LEU . 9.7 m-85 -71.33 -39.67 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CA ' HD12 ' A' ' 17' ' ' ILE . 25.3 t80 -48.93 -45.74 42.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -48.12 -44.26 31.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.1 mp -60.52 -58.94 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 28' ' ' LEU . 13.8 t80 -40.99 -49.17 3.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 35' ' ' LEU . 40.1 mtmt -54.36 -40.01 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -68.52 -37.7 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' PHE . 15.3 mt -71.41 -26.41 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' HG2' ' A' ' 64' ' ' LYS . 3.9 mm? -96.89 -14.84 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . . . -42.2 -38.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -70.9 -51.39 26.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.01 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 52' ' ' MET . 69.1 mt -63.53 -20.52 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.7 t30 69.78 37.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 43' ' ' TYR . 21.1 mt -68.02 170.94 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' ASP . 14.3 mt-10 -88.91 98.36 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 73.7 mtm180 -33.09 -34.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -94.18 -55.16 3.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 2.4 t-20 -83.32 45.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.566 ' NE2' ' HB2' ' A' ' 30' ' ' ALA . 16.5 mt-30 -87.32 -10.11 53.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.2 pp20? -80.2 -47.15 15.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 8.5 pt20 -44.83 -30.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 35' ' ' LEU . 23.6 m-85 -74.5 150.56 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.969 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -129.96 168.39 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -50.88 -26.66 6.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.32 -68.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -45.93 -46.19 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.983 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.84 -37.94 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.082 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -58.54 -62.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -46.42 -57.62 4.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.425 ' HB3' HD22 ' A' ' 33' ' ' LEU . 14.0 mtm -43.69 -45.67 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.499 ' HG2' HD21 ' A' ' 33' ' ' LEU . 55.3 mtp -67.33 -52.17 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -43.1 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -96.15 -40.93 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.0 tptp -56.98 -58.83 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -109.65 84.63 3.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 110.816 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -1.02 7.77 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.02 -55.76 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -117.5 -9.81 10.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.6 m 62.93 30.4 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.78 -18.55 49.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.25 -46.85 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.94 -59.63 4.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.484 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' LEU . 10.9 tptp -42.32 -36.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 82' ' ' LEU . 3.5 tm? -70.83 -56.17 6.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.467 HD13 ' HG2' ' A' ' 83' ' ' LYS . 36.2 mt -40.81 -55.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -51.2 -50.86 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -51.84 -32.37 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.421 ' CB ' ' HB3' ' A' ' 75' ' ' LEU . 64.6 m -81.87 -29.87 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.21 -47.32 77.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 72' ' ' VAL . 7.9 pt-20 -54.11 -29.98 46.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.2 t -97.7 130.01 30.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -14.17 35.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.17 -16.58 22.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 69' ' ' CYS . 86.1 mt -104.32 -25.69 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -41.34 -33.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -61.7 -42.98 99.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 81' ' ' ILE . 33.6 mmt180 -73.43 -43.09 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 66' ' ' ILE . . . -43.72 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.7 pt-20 -47.48 -48.27 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 78' ' ' ARG . 91.8 mt -53.53 -36.94 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 65' ' ' LEU . 37.4 mt -74.02 -21.82 59.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 80' ' ' GLU . 35.8 mtmt -77.8 -42.54 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -43.28 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.067 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.775 0.321 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -43.18 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -43.92 -29.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.51 -36.54 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.718 0.294 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.18 -21.25 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' HG23 ' A' ' 17' ' ' ILE . 2.1 p -60.3 -21.5 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.515 HG23 ' SG ' ' A' ' 16' ' ' CYS . 15.6 pt -119.84 158.98 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.1 t-20 -104.63 166.5 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 2.6 tmtm? -36.04 -41.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -45.2 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' CD2' HD21 ' A' ' 75' ' ' LEU . 9.4 m-85 -63.11 -37.01 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 6.1 t80 -50.35 -43.07 54.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -52.92 -34.9 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.3 mp -73.89 -41.34 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 17.1 t80 -62.51 -44.69 95.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 47.6 mtmt -61.62 -29.4 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.5 t -66.44 -44.74 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.3 mm? -90.02 -21.25 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -36.65 -50.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.2 -56.42 22.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 51' ' ' MET . 78.2 mt -68.99 -3.36 12.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.6 t-20 51.35 41.22 27.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 26' ' ' LYS . 44.8 mt -63.92 163.52 11.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 1.3 mp0 -92.1 98.13 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -35.01 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -89.18 -42.73 11.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.9 m120 -97.48 40.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.25 -26.85 23.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 49.7 mt-10 -75.16 -43.01 54.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -50.48 -20.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -77.84 167.44 21.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -145.21 163.03 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.7 p -45.06 -27.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.74 -69.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.17 -44.61 10.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mm -65.69 -41.27 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.067 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -52.81 -61.48 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -48.62 -54.37 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.694 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.5 mtm -44.08 -42.15 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.8 mtp -74.1 -50.9 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -38.6 -43.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.92 -53.81 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 15.4 tptp -53.78 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -107.38 82.58 1.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.697 0.761 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 54.5 Cg_endo -69.77 -7.78 21.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.63 2.22 . . . . 0.0 112.4 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -58.99 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -124.55 1.13 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m 57.53 26.63 12.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.18 -32.63 7.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 tp -41.0 -44.94 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.11 -67.63 1.83 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' HD11 ' A' ' 29' ' ' LEU . 15.4 tptp -38.81 -32.95 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.472 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.9 tm? -73.42 -57.98 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LEU . 54.5 mt -33.93 -52.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -53.66 -52.47 59.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -45.36 -40.69 8.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 80.0 m -65.06 -41.75 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -44.92 -50.52 10.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -53.78 -46.73 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 74' ' ' ALA . 15.9 t -83.41 121.93 76.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -23.84 30.06 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.701 2.268 . . . . 0.0 112.3 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.79 -21.61 37.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 21' ' ' TYR . 52.7 mt -95.61 -29.78 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' LEU . 39.9 mtp180 -38.32 -35.68 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -51.23 -48.98 61.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 81' ' ' ILE . 23.4 mmt180 -72.09 -41.26 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -43.51 -66.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 14.3 pt-20 -48.86 -41.14 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 78' ' ' ARG . 69.7 mt -61.14 -42.46 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.73 -44.76 96.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.68 -46.24 84.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -44.77 -52.85 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.88 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.755 0.312 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' LEU . 7.6 ptt85 -42.11 -25.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -38.51 -27.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' ARG . 79.0 mt -84.61 -58.42 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -48.27 -30.6 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.06 -59.7 4.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -67.38 152.14 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 36.7 p30 -85.63 148.81 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 40.6 mmtt -35.52 -34.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.1 t60 -51.46 -57.02 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.553 ' HA ' HD13 ' A' ' 24' ' ' LEU . 17.3 m-85 -73.44 -48.94 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -41.63 -47.11 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -48.64 -41.83 32.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.9 mp -63.35 -55.93 20.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.705 ' HA ' HD12 ' A' ' 28' ' ' LEU . 6.1 t80 -43.53 -47.13 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -56.74 -46.94 81.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -56.01 -30.56 62.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 25' ' ' PHE . 8.0 mt -80.76 -53.11 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -67.94 -19.25 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -35.57 -53.13 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -53.69 -61.43 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.29 -63.3 1.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 29' ' ' LEU . 95.2 mt -59.62 -15.62 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 30' ' ' ALA . 64.6 t30 64.88 37.22 7.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 30' ' ' ALA . 11.6 mt -67.15 159.45 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ASP . 4.0 mm-40 -86.93 110.61 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -34.26 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' GLU . 13.5 t0 -93.42 -57.07 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.41 ' HB3' ' CD ' ' A' ' 42' ' ' GLN . 60.6 m-20 -81.32 47.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mt-30 -86.7 -48.42 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' TYR . 5.1 pt-20 -70.01 -39.44 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.41 ' CD ' ' HB3' ' A' ' 39' ' ' ASN . 3.8 pt20 -45.06 -21.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' GLU . 29.6 m-85 -72.45 164.52 26.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' THR . 69.0 p -122.17 145.74 47.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . 40.0 p -35.52 -35.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.8 mp -69.03 -69.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -43.27 -40.78 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.09 -39.8 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.88 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -67.0 -57.27 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' HG22 ' A' ' 46' ' ' ILE . 18.6 m120 -44.96 -56.66 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.444 ' CB ' HD22 ' A' ' 33' ' ' LEU . 20.1 mtm -51.51 -35.24 39.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.434 ' CG ' HD21 ' A' ' 33' ' ' LEU . 78.5 mtp -75.68 -37.39 59.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.49 -36.37 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.42 -46.13 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -49.81 -56.84 8.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.59 83.46 4.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.688 0.756 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.85 4.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.56 -55.55 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.25 -12.79 14.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m 61.04 31.05 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.51 -10.64 70.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.59 -47.07 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.27 -54.97 11.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.549 ' HG2' HD11 ' A' ' 29' ' ' LEU . 14.8 tptp -49.73 -35.96 23.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -73.85 -49.19 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.461 HG23 ' HB1' ' A' ' 79' ' ' ALA . 15.7 mt -48.18 -51.44 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.49 -42.51 74.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -57.83 -33.61 68.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 77.8 m -74.16 -37.51 63.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.61 -48.93 79.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.597 ' HG3' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -48.52 -27.84 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.597 HG23 ' HG3' ' A' ' 71' ' ' GLU . 2.2 t -102.78 130.5 23.71 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -20.19 35.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.89 -0.61 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 72' ' ' VAL . 96.7 mt -122.59 -23.28 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -53.08 -38.13 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.26 -41.86 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -55.65 -53.94 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.92 -33.57 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.62 -35.52 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 79' ' ' ALA . 11.5 mt -70.54 -39.38 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -56.76 -47.57 79.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -43.82 -51.08 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.877 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.544 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.779 0.324 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.1 ttt85 -40.99 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -42.74 -23.0 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 69.0 mt -85.6 -45.47 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.16 -36.33 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.75 -59.37 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.711 HG22 HD22 ' A' ' 75' ' ' LEU . 24.0 pt -63.07 150.44 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 19' ' ' LYS . 32.4 m-80 -71.59 136.31 47.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 18' ' ' ASN . 13.4 mmtp -34.3 -42.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -48.05 -49.52 31.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' HA ' HD13 ' A' ' 24' ' ' LEU . 24.0 m-85 -71.4 -45.01 63.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 28.8 t80 -41.68 -43.32 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 t -54.07 -39.44 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.9 mp -66.62 -44.15 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -55.34 -42.91 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 35' ' ' LEU . 40.7 mtmt -61.04 -24.87 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t -74.71 -49.04 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -25.08 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.3 mm? -98.35 -19.02 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.29 -37.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.5 -48.93 36.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.57 -63.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 51' ' ' MET . 69.1 mt -67.78 -11.09 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 59.1 48.59 10.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.718 HD22 ' CD2' ' A' ' 43' ' ' TYR . 29.1 mt -75.54 164.31 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' ASN . 19.2 mt-10 -89.44 98.39 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.3 ptp180 -41.27 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.8 t70 -95.16 -33.44 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -112.52 47.0 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -85.12 -10.64 56.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.32 -48.66 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.453 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 3.6 pt20 -45.61 -35.22 3.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.718 ' CD2' HD22 ' A' ' 35' ' ' LEU . 38.5 m-85 -69.22 123.3 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.9 p -99.04 -174.77 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.5 p -69.42 -15.42 63.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.0 mt -88.07 -70.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' ILE . 75.6 mt-30 -36.07 -47.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.4 mm -63.13 -40.62 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -57.33 -45.19 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.661 ' HB3' HD22 ' A' ' 33' ' ' LEU . 15.3 mtm -45.71 -38.47 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.7 mtp -71.91 -46.54 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -48.44 -32.77 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.38 -45.99 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HG3' HD23 ' A' ' 33' ' ' LEU . 24.8 mmmt -53.51 -51.83 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.63 83.85 35.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.69 1.38 4.44 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.2 -55.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -7.99 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m 52.63 27.31 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.88 19.4 53.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 66' ' ' ILE . 15.5 tp -78.39 -71.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.7 -58.07 6.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -43.84 -35.75 2.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.6 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -78.83 -47.01 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.971 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 62' ' ' LEU . 58.0 mt -46.61 -53.93 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.1 -47.55 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -49.0 -32.04 8.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.84 -37.28 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLU . 21.8 mm-40 -56.33 -62.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 10.7 pt-20 -36.77 -39.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.79 130.15 39.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.667 0.746 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.93 32.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.765 2.31 . . . . 0.0 112.296 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.09 53.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 HG22 ' A' ' 17' ' ' ILE . 90.3 mt -114.11 -17.0 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -46.73 -55.47 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -45.67 -32.8 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.418 HH11 ' CA ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.89 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.69 -27.48 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.2 mt -79.9 -47.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.58 -27.43 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -78.87 -51.92 9.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -63.46 -35.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.758 HD11 ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -44.46 -25.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.02 -24.09 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.06 -64.38 1.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -48.62 -31.54 6.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.65 -51.14 61.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.478 HG22 HD22 ' A' ' 75' ' ' LEU . 17.6 pt -76.34 150.71 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 69.4 m-80 -79.92 144.98 32.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.5 mmtp -34.81 -43.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -41.43 -62.58 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 10.4 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -44.88 -39.6 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -56.27 -36.13 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.31 -48.08 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 24.4 t80 -50.93 -47.3 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.1 mtmt -58.37 -41.05 83.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -60.98 -42.43 98.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' A' ' 68' ' ' PHE . 17.6 mt -66.13 -42.84 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.676 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.4 mm? -79.74 -21.31 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.46 -54.89 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.67 -62.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.92 -10.81 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.7 m-20 55.09 32.03 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.78 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -77.49 175.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -83.27 -49.25 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.75 -17.08 10.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 24.8 m-20 -86.42 36.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -84.23 -36.58 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -75.82 -37.97 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -54.26 -15.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -76.92 168.2 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -119.69 -174.83 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.1 p -78.46 -23.06 46.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.0 mt -78.4 -70.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 46' ' ' ILE . 31.5 mt-30 -33.88 -55.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.11 -42.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.758 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -51.24 -63.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -47.66 -62.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.7 mtm -41.15 -42.87 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.3 mtp -67.66 -49.28 63.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.92 -44.07 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -81.65 -44.97 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 36.4 tptt -49.83 -64.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -108.86 83.41 2.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.47 3.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.272 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.73 -52.59 5.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.54 -2.35 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.6 m 53.92 25.13 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.23 -21.95 41.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -39.17 -57.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.364 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.94 -65.42 3.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.676 ' HG2' HD11 ' A' ' 29' ' ' LEU . 21.4 tptt -40.01 -38.02 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.5 tm? -71.01 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' LEU . 53.4 mt -35.7 -53.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -53.26 -54.48 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 28' ' ' LEU . 31.1 t80 -44.13 -40.2 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 81.0 m -68.19 -48.31 65.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -40.79 -48.32 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.07 -45.82 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 74' ' ' ALA . 25.8 t -82.62 120.71 77.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -0.59 7.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.292 . . . . 0.0 112.333 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.729 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -103.44 -13.89 16.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 HG22 ' A' ' 17' ' ' ILE . 90.7 mt -111.24 -11.26 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -51.99 -49.32 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -52.24 -29.9 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -84.83 -41.24 16.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.629 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.44 -56.23 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -37.96 63.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.48 -39.49 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 79' ' ' ALA . 12.5 mt -65.52 -16.21 63.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -91.07 -35.75 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -56.33 -50.62 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 49' ' ' ALA . 5.9 tp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.839 0.352 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -41.79 -23.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -46.96 -38.89 10.8 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.8 -60.03 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.55 -32.71 67.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' SG ' ' NE ' ' A' ' 78' ' ' ARG . 48.3 t -48.06 -59.07 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.626 HG22 HD22 ' A' ' 75' ' ' LEU . 26.1 pt -68.15 133.88 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 148.67 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -41.56 -33.35 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -52.4 -54.54 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' HA ' HD13 ' A' ' 24' ' ' LEU . 33.2 m-85 -71.92 -48.59 44.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 17.5 t80 -39.14 -48.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -49.48 -47.57 48.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.9 mp -55.38 -54.92 37.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.51 -46.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.22 -41.7 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -61.69 -34.58 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.03 -44.31 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 33' ' ' LEU . 3.1 mm? -75.02 -23.89 58.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.45 -43.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -62.21 -59.05 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.1 -61.99 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 29' ' ' LEU . 86.4 mt -63.67 -14.06 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m120 59.18 40.11 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 43' ' ' TYR . 14.3 mt -67.23 177.28 1.88 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLN . 19.8 mt-10 -104.41 104.92 14.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' N ' ' OE1' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -52.66 -20.77 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -102.9 -13.16 17.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.451 ' OD1' ' CD ' ' A' ' 42' ' ' GLN . 2.6 t-20 -132.98 30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.6 mt-30 -86.97 -12.54 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.8 -26.78 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 1.3 pt20 -74.1 -38.46 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CD2' HD22 ' A' ' 35' ' ' LEU . 18.3 m-85 -58.17 115.25 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -91.56 172.75 8.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.7 p -53.48 -30.57 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.0 mp -75.75 -64.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -47.57 -36.75 11.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 43' ' ' TYR . 25.3 mm -73.38 -36.54 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -68.1 -60.23 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -41.51 -51.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 mtm -53.38 -54.27 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.3 mtp -57.09 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -44.96 -25.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.29 -49.55 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' HD23 ' A' ' 33' ' ' LEU . 16.8 mmmt -46.76 -61.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -107.15 84.17 1.59 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 54.2 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.34 -57.9 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -8.51 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m 63.66 27.65 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.17 -7.54 81.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.569 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -49.66 -60.55 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -53.6 -56.84 18.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.94 -40.08 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.61 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.0 tm? -70.63 -44.18 67.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HA2' ' A' ' 63' ' ' GLY . 35.5 mt -51.38 -55.66 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -52.53 -47.91 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -52.56 -35.89 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 66.9 m -76.9 -26.52 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.68 -59.58 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -40.64 -34.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 74' ' ' ALA . 2.5 t -94.05 127.94 43.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.74 37.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -91.56 -15.75 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.626 HD22 HG22 ' A' ' 17' ' ' ILE . 59.2 mt -107.79 -17.66 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -47.62 -54.09 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -46.83 -28.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NE ' ' SG ' ' A' ' 16' ' ' CYS . 17.1 tpp180 -82.63 -44.78 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -52.26 -51.9 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -28.97 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.7 mt -77.93 -33.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 79' ' ' ALA . 25.3 mt -69.52 -38.71 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LYS . 45.9 mttm -62.05 -56.44 18.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' LYS . 16.1 tptp -35.24 -50.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 49' ' ' ALA . 11.4 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.813 0.339 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -43.75 -24.63 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.32 -21.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.59 -64.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -47.37 -31.89 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.64 -57.44 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.8 pt -69.02 152.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' HIS . 11.4 m120 -83.15 154.03 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -41.34 -26.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASN . 18.7 t60 -55.32 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 9.4 m-85 -70.4 -43.11 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 12.9 t80 -47.29 -39.42 14.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -55.49 -41.98 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.1 mp -63.77 -45.48 89.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -51.95 -47.49 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -59.87 -29.2 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -71.92 -33.99 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.11 -24.42 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -97.04 -19.1 18.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.77 -42.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.95 -50.35 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -69.79 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 51' ' ' MET . 65.2 mt -60.22 -13.08 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 61.85 35.92 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.92 171.29 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' ASP . 1.8 mm-40 -100.76 106.28 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' GLU . 77.8 mtp180 -34.97 -32.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.7 p-10 -83.3 -49.1 9.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.796 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 75.3 m-20 -92.99 41.79 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -86.92 -49.72 7.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.03 -42.33 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.71 -24.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 30.9 m-85 -69.42 162.93 26.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -111.85 -176.74 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 21.8 p -77.22 -19.89 56.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.2 mt -83.12 -70.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' ILE . 17.6 mt-30 -33.8 -55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.76 -44.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -51.38 -59.43 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.03 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' MET . 42.0 m-20 -46.94 -67.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.732 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.1 mtm -36.57 -45.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 56.3 mtp -67.47 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -38.62 -28.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' MET . 62.5 mm-40 -92.44 -47.79 6.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HG3' HD23 ' A' ' 33' ' ' LEU . 22.8 mmmt -53.9 -44.42 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.94 83.65 62.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -8.25 23.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.62 -58.23 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -100.49 -19.42 16.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m 62.83 30.99 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.15 19.07 58.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.6 tp -80.02 -71.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.98 -63.19 3.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -39.44 -38.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.629 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.3 tm? -77.58 -42.67 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.5 mt -51.46 -56.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.86 -43.75 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.56 -31.54 62.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.4 m -78.5 -23.76 46.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.94 -60.44 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.51 -28.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 74' ' ' ALA . 20.5 t -98.25 120.75 58.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.59 2.193 . . . . 0.0 112.382 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.672 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -111.79 -1.15 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.14 -16.9 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -45.17 -60.5 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.86 -28.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' ALA . 7.4 tpt180 -80.45 -56.77 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' ARG . . . -36.59 -65.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 11.9 pt-20 -41.39 -47.91 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.429 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 69.1 mt -58.73 -42.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.96 -37.36 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 33.2 mttt -68.66 -49.51 58.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -37.65 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' LYS . 29.2 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.762 0.315 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LEU . 18.6 mtp180 -53.67 -21.77 7.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.37 -26.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ARG . 18.2 mt -83.96 -51.52 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.46 -37.52 72.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -44.88 -55.97 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.41 HG22 HD22 ' A' ' 75' ' ' LEU . 14.7 pt -68.95 138.25 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -63.54 156.68 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -53.27 -18.85 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -62.71 -60.28 3.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.501 ' HA ' HD13 ' A' ' 24' ' ' LEU . 15.4 m-85 -70.73 -42.9 69.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 23.0 t80 -43.22 -38.65 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -52.51 -47.05 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.7 mp -58.36 -56.1 26.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HA ' HD12 ' A' ' 28' ' ' LEU . 23.3 t80 -42.31 -49.57 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -58.9 -38.62 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -67.0 -28.96 68.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 25' ' ' PHE . 20.3 mt -79.72 -35.43 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.565 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.3 mm? -87.95 -22.83 24.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.93 -49.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -53.25 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.22 -63.06 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 51' ' ' MET . 40.6 mt -55.58 -23.57 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.2 t-20 71.43 35.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.58 169.44 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ASP . 18.7 mt-10 -97.07 97.93 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' HA ' ' CD ' ' A' ' 40' ' ' GLN . 63.9 mtt85 -35.55 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' GLU . 19.1 t0 -90.38 -50.31 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -90.26 40.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.431 ' CD ' ' HA ' ' A' ' 37' ' ' ARG . 6.8 mt-30 -87.14 -17.04 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -66.08 -43.2 88.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -53.04 -41.05 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HB3' HD11 ' A' ' 48' ' ' ILE . 45.4 m-85 -67.1 138.17 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -126.13 168.32 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.8 p -45.2 -25.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 46' ' ' ILE . 22.7 mm -76.02 -65.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.1 -51.68 51.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 43' ' ' TYR . 48.0 mm -55.5 -43.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.27 -62.84 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -47.4 -49.97 23.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.617 ' HB3' HD22 ' A' ' 33' ' ' LEU . 6.9 mtm -52.25 -36.62 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 38.8 mtp -75.28 -40.02 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -49.38 -42.32 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -84.85 -44.11 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -55.24 -63.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.92 84.44 3.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.675 0.75 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -4.54 14.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.24 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -115.57 -9.18 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m 63.34 28.09 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.78 7.77 70.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.564 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.49 -44.0 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.27 -52.14 28.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.565 ' HG2' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -52.07 -32.29 34.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -74.24 -51.35 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.5 mt -45.37 -57.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -50.21 -45.55 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.66 -31.24 64.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 m -76.78 -27.31 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.78 -53.75 42.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CG ' HG23 ' A' ' 72' ' ' VAL . 5.3 pt-20 -44.44 -34.36 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.458 HG23 ' CG ' ' A' ' 71' ' ' GLU . 46.7 t -101.13 126.45 34.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.105 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -27.67 26.58 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -78.9 -11.58 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 17' ' ' ILE . 93.1 mt -109.36 -12.57 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -61.18 -14.17 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -75.16 -25.84 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.83 -43.35 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.52 14.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.05 -33.4 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.0 -42.58 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.26 -47.87 54.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LYS . 12.5 mtpt -54.76 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' LYS . 7.3 tppt? -35.67 -56.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.721 0.296 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -52.96 -15.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.38 -17.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.4 mt -92.52 -55.61 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.298 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' CYS . 6.4 mm-40 -59.52 -41.84 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.5 t -37.11 -63.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.438 HG22 HD22 ' A' ' 75' ' ' LEU . 32.0 pt -60.34 136.8 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' HIS . 79.4 m-20 -56.11 143.38 33.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -39.49 -29.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 4.9 t-80 -53.31 -54.45 36.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.643 ' CD2' HD21 ' A' ' 75' ' ' LEU . 16.8 m-85 -74.49 -46.79 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -41.74 -45.71 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -54.54 -47.11 73.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.2 mp -55.76 -51.19 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -47.86 -45.49 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.99 -35.68 79.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -66.82 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.08 -37.69 81.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.3 mm? -84.37 -23.07 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -33.94 -51.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -51.57 -61.76 2.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -62.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.58 -11.44 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 5.0 m-80 55.93 38.41 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.87 -178.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -74.4 125.89 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtt-85 -32.99 -52.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -128.72 -27.18 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.484 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 5.8 t-20 -76.72 45.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.92 -29.11 35.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.71 -39.86 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -48.17 -31.48 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -77.49 154.68 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' THR . 73.5 p -119.78 149.45 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 33.3 p -35.89 -34.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.1 mp -66.38 -66.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -44.54 -41.15 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.3 mm -70.0 -28.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.733 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -78.12 -48.12 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.426 ' OD1' HG22 ' A' ' 46' ' ' ILE . 23.2 m120 -61.94 -42.81 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.3 mtm -60.12 -46.16 90.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HE3' ' CD1' ' A' ' 29' ' ' LEU . 27.2 mtp -67.06 -43.66 82.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -40.85 -38.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -94.44 -46.91 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 45.4 tptt -42.76 -52.91 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 55' ' ' LYS . 1.5 m-85 -118.81 88.03 34.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -2.99 11.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -57.61 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 6.9 p30 -124.84 25.98 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.7 p 39.25 30.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 84.35 -25.68 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ASP . 25.2 tp -39.07 -48.28 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.73 -54.92 30.17 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -53.26 -33.28 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -73.49 -50.29 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG23 ' HB1' ' A' ' 79' ' ' ALA . 47.4 mt -49.42 -49.99 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.42 -43.64 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.8 -32.31 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.58 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 81.9 m -76.82 -38.96 52.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.23 -53.83 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' HG2' HG23 ' A' ' 72' ' ' VAL . 4.6 pt-20 -49.41 -23.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.484 HG23 ' HG2' ' A' ' 71' ' ' GLU . 3.6 t -108.99 130.0 23.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.698 0.761 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -28.93 24.82 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.96 58.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.643 HD21 ' CD2' ' A' ' 21' ' ' TYR . 60.8 mt -106.46 -21.36 13.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -49.35 -50.71 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -55.78 -23.1 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -87.09 -42.62 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -49.96 -64.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -41.99 -48.11 4.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.488 ' N ' ' OE1' ' A' ' 80' ' ' GLU . 71.8 mt -53.14 -44.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.58 -16.84 62.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -83.29 -39.74 20.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -53.99 -55.01 31.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -81.37 173.26 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -127.63 175.52 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.65 -154.99 17.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 70.14 42.48 0.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -109.27 40.76 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.18 58.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.55 143.18 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 11' ' ' LEU . 41.5 t -134.37 143.22 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.789 HD22 HD22 ' A' ' 62' ' ' LEU . 25.5 mt -50.08 -21.81 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.728 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -89.33 -39.09 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -50.93 -19.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.22 -21.49 0.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.77 -59.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.4 -24.89 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.8 -51.54 69.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 pt -74.23 158.94 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 19' ' ' LYS . 5.7 m120 -80.39 143.57 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' ASN . 9.6 tmtm? -36.32 -38.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -49.16 -66.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.577 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.0 m-85 -58.94 -41.89 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -45.9 -50.97 13.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -44.2 -45.8 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.4 mp -60.01 -44.81 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -54.18 -45.05 72.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 35' ' ' LEU . 41.7 mtmt -62.46 -33.06 74.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -69.32 -42.8 74.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -67.8 -23.75 65.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.66 HD11 ' HE2' ' A' ' 64' ' ' LYS . 4.5 mm? -99.04 -16.51 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.45 -39.2 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.11 -48.91 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.41 -62.64 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.37 -16.39 64.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.0 t30 66.91 35.41 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 26' ' ' LYS . 79.8 mt -55.52 177.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 4.1 mm-40 -69.18 177.42 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.89 -34.09 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.24 -1.9 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 25.6 m-20 -108.21 35.32 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -86.36 -10.58 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.7 -33.63 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.53 -12.48 32.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -80.16 170.05 16.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' ILE . 46.5 p -141.53 150.77 42.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.8 p -39.93 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.2 mm -69.54 -67.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -49.32 -36.48 21.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.2 mm -73.68 -37.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.728 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.12 -57.5 12.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -53.08 -41.26 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.0 mtm -57.37 -43.03 83.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtp -71.5 -39.47 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.07 -54.76 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.58 -53.07 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 28.5 tptt -52.06 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.28 82.5 1.22 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.92 27.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.299 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.29 11.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -120.69 -14.63 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 71.22 29.6 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.82 9.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.789 HD22 HD22 ' A' ' 10' ' ' LEU . 15.7 tp -41.26 -52.31 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -63.52 -60.58 7.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.521 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.66 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -45.75 -35.23 4.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -74.77 -56.7 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.45 HD12 ' HA2' ' A' ' 63' ' ' GLY . 31.4 mt -34.37 -48.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.18 -51.12 70.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -48.22 -26.88 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.3 m -84.34 -37.12 21.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.96 -47.08 81.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 72' ' ' VAL . 5.8 pt-20 -54.52 -40.18 68.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.6 t -86.62 132.67 41.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 -27.88 26.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.23 -6.2 59.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -115.35 -19.37 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -50.84 -36.36 37.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -61.67 -33.96 74.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -85.17 -41.13 15.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.92 -48.97 8.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -36.11 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.21 -37.05 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt -69.74 -50.58 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HE2' ' CG2' ' A' ' 66' ' ' ILE . 70.4 mttt -45.93 -54.56 8.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -39.9 -45.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.1 -40.89 71.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.634 ' HB2' HD21 ' A' ' 62' ' ' LEU . 26.4 ttt-85 -50.25 -60.04 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.6 m -63.94 149.39 47.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -129.8 -58.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 m -115.99 37.93 3.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.17 140.6 0.99 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 176.37 6.84 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.4 t -89.87 81.05 6.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -70.76 115.98 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.245 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.456 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.7 t -50.12 105.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 0.0 110.813 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 23.3 p 35.1 41.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.01 89.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 m -67.88 150.31 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p 44.47 39.84 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.09 49.46 3.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.81 132.45 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG13 ' H ' ' A' ' 12' ' ' ARG . 8.1 p -143.27 150.89 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 62' ' ' LEU . 54.4 mt -46.75 -31.84 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.695 HD11 ' HB1' ' A' ' 49' ' ' ALA . 6.0 tt -70.65 -35.36 72.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.556 ' H ' HG13 ' A' ' 9' ' ' VAL . 12.0 ttt180 -44.45 -22.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.61 12.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -71.24 -49.66 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.62 -28.83 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.62 -57.29 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 HD22 ' A' ' 75' ' ' LEU . 20.0 pt -66.87 151.87 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -69.74 154.94 41.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -51.09 -35.54 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -53.69 -55.79 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -67.68 -35.12 78.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 26.1 t80 -51.19 -40.81 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 t -54.38 -46.54 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -49.06 79.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CE1' HD21 ' A' ' 29' ' ' LEU . 11.6 t80 -50.79 -46.12 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.73 -25.8 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -74.45 -40.57 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.57 -25.54 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 64' ' ' LYS . 3.0 mm? -94.56 -20.18 19.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -40.92 -39.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -71.1 -48.99 49.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.28 -62.98 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD21 ' HG2' ' A' ' 52' ' ' MET . 58.8 mt -68.5 -5.14 17.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 52.98 48.54 22.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 30' ' ' ALA . 8.6 mt -73.94 170.86 14.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' ASN . 13.8 mt-10 -95.52 99.37 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -40.76 -25.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' GLU . 68.2 m-20 -92.57 -34.11 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.548 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.1 t-20 -111.46 44.82 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -87.03 -22.04 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.76 -48.56 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.548 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 5.8 pt20 -46.45 -29.22 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 24.7 m-85 -74.65 150.29 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -130.94 165.84 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 76.3 p -44.7 -25.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mm -74.04 -69.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -45.9 -55.03 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 33' ' ' LEU . 26.3 mm -55.37 -42.71 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.695 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -57.21 -30.44 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -73.66 -59.05 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.599 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -44.55 -45.8 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.752 ' HG2' HD21 ' A' ' 33' ' ' LEU . 42.0 mtp -66.03 -53.15 42.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -42.19 -28.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -93.2 -51.49 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -48.12 -61.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.22 83.61 1.47 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.59 5.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.62 -54.64 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -19.69 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 62.34 29.45 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.6 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 10' ' ' LEU . 34.7 tp -58.58 -70.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -51.33 -40.22 45.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HG2' HD11 ' A' ' 29' ' ' LEU . 14.0 tptt -59.63 -42.47 92.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.564 HD12 HD13 ' A' ' 82' ' ' LEU . 3.5 tm? -66.18 -49.32 67.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.537 HD12 ' HA2' ' A' ' 63' ' ' GLY . 18.6 mt -43.61 -50.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.0 -54.39 43.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -43.81 -37.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.616 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 59.4 m -77.96 -37.85 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.61 -50.39 60.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.52 -45.67 77.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 74' ' ' ALA . 16.1 t -83.2 121.93 77.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -4.46 14.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.662 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -99.32 -21.72 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 17' ' ' ILE . 34.7 mt -102.52 -16.27 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -48.01 -34.68 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 80' ' ' GLU . 19.7 ttpt -51.98 -52.48 50.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.5 mmt-85 -67.59 -40.66 84.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -47.73 -54.63 11.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 5.8 pt-20 -57.99 -24.35 57.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.77 -40.75 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.564 HD13 HD12 ' A' ' 65' ' ' LEU . 19.5 mt -64.09 -28.11 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 66' ' ' ILE . 62.3 mttt -73.42 -54.12 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -39.54 -50.89 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.85 -43.34 83.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -53.59 -60.64 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -114.13 136.14 53.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -130.93 84.97 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p 45.0 41.91 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.79 159.69 21.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 138.87 39.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -57.76 125.26 22.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 p -46.18 143.09 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -113.52 92.05 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t 52.5 43.39 31.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.58 77.07 0.39 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -52.57 -47.13 67.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -93.49 51.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.83 76.36 1.55 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.4 mt -128.66 141.9 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.364 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 10' ' ' LEU . 11.6 p -148.62 162.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.646 ' H ' HD12 ' A' ' 10' ' ' LEU . 4.9 mp -57.63 -26.7 61.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.976 HD11 ' HB1' ' A' ' 49' ' ' ALA . 5.6 tp -76.85 -22.72 53.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -52.62 -28.86 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.52 -35.08 2.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -68.23 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.73 0.3 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.88 -30.45 58.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 t -49.36 -57.51 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.58 HG22 HD22 ' A' ' 75' ' ' LEU . 17.6 pt -65.06 136.65 26.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 9.5 m120 -60.88 145.53 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.9 tptt -38.08 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -47.13 -50.9 19.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.516 ' HA ' HD13 ' A' ' 24' ' ' LEU . 19.5 m-85 -73.11 -51.0 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 36.7 t80 -40.23 -47.97 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -47.5 -42.5 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.9 mp -63.34 -56.46 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.445 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.8 t80 -39.82 -48.95 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.5 mtmt -55.1 -44.32 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -65.04 -32.15 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 25' ' ' PHE . 14.4 mt -79.3 -26.07 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.654 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.2 mm? -98.4 -16.89 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.581 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -38.25 -50.52 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -60.86 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -63.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD1' HG23 ' A' ' 48' ' ' ILE . 49.9 mt -61.39 -20.54 63.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.4 m120 72.22 38.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 30' ' ' ALA . 7.3 mt -74.72 165.22 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' ASP . 2.1 mp0 -90.4 98.61 11.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -39.48 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.9 p30 -93.58 -36.98 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -107.95 46.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' A' ' 30' ' ' ALA . 11.4 mt-30 -86.81 -20.94 26.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.0 pp20? -66.81 -51.03 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 39' ' ' ASN . 5.6 pt20 -45.55 -28.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 22.5 m-85 -75.99 142.79 41.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -122.93 167.63 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 7.9 p -51.14 -26.38 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' ALA . 22.9 mm -77.98 -69.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -43.78 -37.16 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.422 HG23 ' CD1' ' A' ' 33' ' ' LEU . 17.1 mm -73.76 -31.4 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.976 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -61.36 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -46.36 -55.2 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 mtm -44.85 -50.02 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.2 mtp -62.81 -52.25 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.42 -33.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -93.03 -31.86 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.3 tptp -63.81 -56.08 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -116.51 83.68 13.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.26 5.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.5 -52.69 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -122.85 6.25 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.96 26.16 3.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.11 -20.26 50.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.408 HD22 HD23 ' A' ' 10' ' ' LEU . 18.0 tp -39.01 -37.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.0 -58.96 3.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.654 ' HG2' HD11 ' A' ' 29' ' ' LEU . 6.6 tptm -46.05 -36.68 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -67.33 -51.49 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.431 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 51.9 mt -41.4 -58.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.6 -57.27 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -39.86 -47.09 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.634 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 74.8 m -67.78 -52.76 33.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.07 -57.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -47.36 -48.9 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 21' ' ' TYR . 2.9 t -84.49 128.17 62.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -22.46 32.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -83.35 -6.64 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.58 HD22 HG22 ' A' ' 17' ' ' ILE . 58.6 mt -120.11 -20.34 7.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -44.15 -27.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -42.87 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -73.72 -34.66 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -55.09 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.28 -55.06 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.2 mt -46.79 -42.41 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 66' ' ' ILE . 66.4 mttt -43.06 -36.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -59.51 -44.72 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -69.68 -50.14 46.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -38.84 -55.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -78.9 147.71 32.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 89' ' ' SER . 7.6 pt-20 -107.05 91.69 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 88' ' ' GLU . 14.8 m 34.46 40.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.49 146.08 24.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 98.42 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.252 . . . . 0.0 112.318 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t 43.7 45.41 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.6 p -97.91 45.02 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.547 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -139.55 139.34 36.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -85.58 169.96 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.05 53.15 0.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -59.12 -51.24 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 110.827 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -86.61 -45.67 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.75 -44.35 3.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.565 HG23 ' HD2' ' A' ' 12' ' ' ARG . 80.4 mt -40.11 131.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.401 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.656 HG13 ' H ' ' A' ' 12' ' ' ARG . 7.9 p -117.52 142.97 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mp -40.01 -34.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.022 HD11 ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt -67.61 -40.75 84.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.656 ' H ' HG13 ' A' ' 9' ' ' VAL . 6.0 ttm180 -35.0 -34.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -40.03 -47.36 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.11 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -47.72 -39.5 17.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 t -40.02 -57.27 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.454 HD13 ' HE2' ' A' ' 68' ' ' PHE . 6.0 pt -75.42 133.52 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.15 155.79 13.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -45.36 -44.8 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -40.93 -63.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CE2' HD21 ' A' ' 75' ' ' LEU . 28.7 m-85 -64.81 -44.43 89.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 25.0 t80 -42.6 -44.88 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -48.44 -41.86 30.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.32 -35.88 78.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 33.0 t80 -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 36.0 mtmt -57.73 -36.82 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 t -62.83 -44.58 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.08 -30.04 70.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.2 mm? -88.86 -25.11 22.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.38 -52.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.32 -54.31 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 51' ' ' MET . 69.1 mt -72.97 2.68 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 99.1 m-20 46.79 41.6 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 26' ' ' LYS . 68.5 mt -57.92 176.85 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 5.9 mm-40 -70.21 164.38 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -31.89 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.37 -29.85 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.461 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 9.3 m120 -80.77 44.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -86.96 -39.22 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.26 -43.85 80.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 39' ' ' ASN . 4.6 pt20 -45.57 -26.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -73.08 163.93 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.8 p -136.73 158.49 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 71.7 p -43.51 -35.79 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.95 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.76 -44.49 48.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.91 -39.74 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.022 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -58.08 -67.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ALA . 36.3 m-80 -36.38 -48.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.636 ' HB3' HD22 ' A' ' 33' ' ' LEU . 29.4 mtm -58.27 -44.27 88.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ALA . 38.1 mtp -67.72 -39.82 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -41.47 51.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.41 -44.32 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tptp -58.15 -61.35 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.8 m-85 -108.99 83.05 2.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.13 -58.68 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -118.83 -6.98 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m 68.79 25.01 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.441 ' HA2' ' HE2' ' A' ' 52' ' ' MET . . . 108.11 -37.3 3.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.423 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 tp -39.1 -54.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.71 -67.24 2.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.48 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -42.76 -35.48 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.3 tm? -72.43 -51.89 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.2 mt -41.46 -53.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -57.98 -48.72 79.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.454 ' HE2' HD13 ' A' ' 17' ' ' ILE . 22.0 t80 -47.97 -28.79 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.7 m -78.99 -38.63 36.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLU . 14.8 mm-40 -49.18 -61.31 2.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' GLU . 13.8 pt-20 -37.67 -38.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 74' ' ' ALA . 3.4 t -89.77 129.5 46.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.733 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.91 27.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.37 -23.25 37.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.474 HD21 ' CE2' ' A' ' 21' ' ' TYR . 73.1 mt -94.86 -29.32 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LEU . 49.2 mtp180 -34.53 -60.68 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -45.2 -44.07 10.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.751 ' HA ' HD12 ' A' ' 81' ' ' ILE . 18.2 tpp180 -65.62 -41.8 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.44 -63.84 1.02 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.1 pt-20 -45.77 -37.41 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 78' ' ' ARG . 57.7 mt -64.16 -43.31 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.05 -50.73 70.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -50.45 -44.9 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -39.01 -47.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' ARG . 18.1 mt-10 -77.03 -48.84 16.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' GLU . 54.8 ttt180 -35.35 -49.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -60.54 105.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -111.7 -39.03 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -107.29 -46.13 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.42 158.56 9.48 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -37.4 9.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.1 m -120.17 145.38 47.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -120.72 108.97 14.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 m 55.02 47.54 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -136.82 116.66 13.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.94 149.67 18.09 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -124.3 -50.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -65.66 -28.93 69.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . 63.33 -86.16 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.3 mp -35.3 142.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.632 HG13 ' H ' ' A' ' 12' ' ' ARG . 7.7 p -153.76 142.21 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD22 HD22 ' A' ' 62' ' ' LEU . 15.2 mt -42.75 -31.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -65.68 -47.47 75.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.838 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.632 ' H ' HG13 ' A' ' 9' ' ' VAL . 22.7 ttt180 -43.93 -27.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' ARG . . . -36.85 -28.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' ARG . 29.7 mt -83.28 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.31 -24.79 60.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -54.98 -59.6 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.403 HG22 HD22 ' A' ' 75' ' ' LEU . 12.3 pt -66.83 161.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.6 t-20 -86.8 143.13 27.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' ASN . 26.0 mmtt -34.54 -42.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' HA ' HD13 ' A' ' 24' ' ' LEU . 24.2 m-85 -72.7 -42.87 63.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 21.1 t80 -44.23 -49.93 9.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -43.92 -51.71 7.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 24' ' ' LEU . 6.0 mp -55.35 -49.6 71.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.11 -43.68 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 35' ' ' LEU . 45.1 mtmt -63.14 -46.88 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -55.07 -37.92 67.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.99 -48.8 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.738 HD21 ' HG2' ' A' ' 64' ' ' LYS . 3.8 mm? -75.26 -13.96 60.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -43.74 -47.22 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -56.28 -60.96 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.2 -63.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 51' ' ' MET . 95.0 mt -60.67 -16.74 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 30' ' ' ALA . 45.1 t30 63.0 36.08 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 26' ' ' LYS . 23.2 mt -58.29 -178.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASP . 7.5 mt-10 -119.32 110.46 17.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 38' ' ' ASP . 3.8 ptp180 -36.32 -32.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -86.93 -50.99 6.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.589 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 3.2 t-20 -75.74 4.61 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' GLU . 28.2 mt-30 -80.84 -11.74 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.98 -14.1 26.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.518 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 9.5 pt20 -100.49 -44.2 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 17.8 m-85 -42.49 129.25 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.6 p -97.52 160.72 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 p -47.79 -22.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.62 -62.16 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -48.3 -50.81 28.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mm -58.24 -36.7 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.85 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.5 -37.31 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.88 -53.03 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.735 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.1 mpp? -52.11 -62.72 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.574 ' HG2' HD21 ' A' ' 33' ' ' LEU . 68.4 mtp -52.81 -41.89 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.43 -37.56 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -84.23 -43.48 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' HD23 ' A' ' 33' ' ' LEU . 14.9 mmmt -54.88 -60.75 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -112.23 83.5 5.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.68 5.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.6 -54.98 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -11.91 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 61.92 31.84 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.95 -12.19 58.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.466 HD22 HD22 ' A' ' 10' ' ' LEU . 17.6 tp -40.49 -49.05 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.06 -60.29 8.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HG2' HD21 ' A' ' 29' ' ' LEU . 9.1 tppt? -44.83 -36.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.8 tm? -71.68 -53.38 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.5 mt -45.79 -58.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -51.15 -44.49 61.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.71 -27.86 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' ARG . 93.8 m -83.69 -19.51 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -79.2 -37.12 39.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -63.44 -12.59 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 73' ' ' PRO . 2.0 t -113.25 135.84 21.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.445 ' HD2' ' CG1' ' A' ' 72' ' ' VAL . 53.0 Cg_endo -69.79 -13.35 34.48 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.17 -27.25 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' CYS . 28.9 mt -91.23 -23.66 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 69' ' ' CYS . 8.4 mtt-85 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -63.65 -51.32 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.99 -38.39 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.19 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -48.22 -32.75 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.69 -45.15 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.92 -36.2 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -68.45 -32.69 72.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -57.17 -34.82 68.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -90.14 -51.15 5.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -42.34 -46.08 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -116.39 137.92 51.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 89' ' ' SER . 13.9 pt-20 -100.56 -50.39 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 14.7 m -108.29 -38.95 5.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.81 147.09 0.75 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.541 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.02 15.24 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 t -55.0 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.2 m -130.47 164.56 24.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.428 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -126.82 -45.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 p -65.01 107.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.72 97.93 0.69 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.557 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -100.78 80.79 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.897 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -84.2 42.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.14 47.44 3.16 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.1 mt -109.47 138.86 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG13 ' H ' ' A' ' 12' ' ' ARG . 9.7 p -122.09 144.16 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.683 HD13 HD22 ' A' ' 62' ' ' LEU . 41.8 mt -42.52 -28.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -68.15 -46.22 71.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.527 ' H ' HG13 ' A' ' 9' ' ' VAL . 24.7 ttt180 -47.14 -21.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.88 -24.21 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' ARG . 9.0 mt -91.82 -63.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HA ' HG21 ' A' ' 45' ' ' THR . 7.5 tm-20 -49.96 -19.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.65 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.68 134.08 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.46 154.97 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -51.82 -18.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -66.68 -51.46 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.576 ' HA ' HD13 ' A' ' 24' ' ' LEU . 10.5 m-85 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 15.4 t80 -52.13 -45.42 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -50.16 -36.05 28.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.8 mp -70.46 -42.56 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 32.3 t80 -56.77 -44.45 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 38.0 mtmt -62.13 -31.04 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 t -67.99 -34.3 76.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.31 -27.02 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -92.58 -22.28 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.1 -47.12 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.478 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.13 -50.03 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.75 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 94.7 mt -73.17 1.62 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 2.7 p-10 47.21 39.94 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 26' ' ' LYS . 32.1 mt -56.7 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 177.45 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -88.46 -52.39 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -122.26 -3.57 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.464 HD21 ' HA ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -103.24 34.28 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.42 -10.86 55.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -80.76 -48.8 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -45.17 -27.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.23 160.44 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -132.6 162.57 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 25.1 p -50.5 -22.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -75.62 -68.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.92 -40.95 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.07 -42.56 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 11' ' ' LEU . . . -52.77 -57.39 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -54.05 -43.12 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.419 ' HB3' HD22 ' A' ' 33' ' ' LEU . 12.8 mtm -55.54 -36.31 66.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.9 mtp -79.08 -45.26 20.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -43.24 -49.92 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 55' ' ' LYS . 2.6 pp20? -76.3 -52.91 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 tppt? -52.12 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.42 82.45 1.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -0.03 6.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 0.0 112.409 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.89 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.59 -4.22 9.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m 57.74 31.71 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.73 -27.43 18.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.683 HD22 HD13 ' A' ' 10' ' ' LEU . 11.2 tp -42.86 -45.18 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.03 -62.21 3.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' HD21 ' A' ' 29' ' ' LEU . 28.6 tptt -45.43 -35.35 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.6 tm? -72.8 -58.57 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 65' ' ' LEU . 19.2 mt -34.89 -49.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.33 -46.36 83.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 62.5 t80 -53.58 -30.63 43.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.5 m -76.26 -26.59 56.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' VAL . 50.3 mt-10 -64.34 -62.16 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CG ' HG23 ' A' ' 72' ' ' VAL . 8.0 pt-20 -39.1 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 74' ' ' ALA . 18.5 t -107.46 123.3 38.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.17 35.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.528 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.57 -20.15 40.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.4 -17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -51.62 -25.6 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.65 -35.35 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -81.13 -45.49 16.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.61 -44.39 8.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.16 -33.7 76.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.79 -40.83 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.82 -55.86 9.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -49.15 -48.42 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.72 -46.85 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.525 ' HB2' HD21 ' A' ' 62' ' ' LEU . 48.7 ttt-85 -47.63 -39.86 18.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 t -65.48 120.08 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -128.77 82.8 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.0 m 43.12 42.88 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.02 163.39 13.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.541 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 84.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.256 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -157.05 122.45 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.6 p -83.17 115.54 21.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -77.58 89.15 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -98.61 118.86 36.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.53 64.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -80.6 144.17 32.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.798 0.332 . . . . 0.0 110.828 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -115.2 83.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.656 ' H ' HD12 ' A' ' 8' ' ' ILE . . . -160.97 51.9 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.656 HD12 ' H ' ' A' ' 7' ' ' GLY . 4.2 mp -111.28 142.12 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.503 HG13 ' H ' ' A' ' 12' ' ' ARG . 8.7 p -139.33 142.04 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.807 HD13 HD22 ' A' ' 62' ' ' LEU . 43.4 mt -37.03 -30.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -70.22 -48.26 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' H ' HG13 ' A' ' 9' ' ' VAL . 9.6 mmp_? -47.42 -20.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.93 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.0 mt -84.72 -56.86 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.65 -31.82 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 m -50.94 -50.46 57.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.504 HG22 HD22 ' A' ' 75' ' ' LEU . 17.7 pt -71.75 130.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' LYS . 19.1 m120 -53.89 136.86 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -34.96 -37.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -45.52 -59.32 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.69 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 5.1 m-85 -67.97 -48.49 65.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 34.4 t80 -43.08 -42.75 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -53.01 -38.76 62.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.8 mp -66.72 -45.72 77.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE1' HD21 ' A' ' 29' ' ' LEU . 11.7 t80 -53.65 -44.33 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.0 mtmt -60.66 -35.78 77.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.25 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -74.42 -30.21 61.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 25' ' ' PHE . 3.3 mm? -91.32 -22.21 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.03 -49.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.18 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.55 -61.58 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 51' ' ' MET . 49.6 mt -65.85 -10.62 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 4.8 m120 55.72 37.53 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 160.01 21.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ASP . 13.4 mt-10 -80.52 100.42 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HA ' ' CD ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -42.02 -23.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -96.9 -38.14 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.552 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.2 t-20 -106.61 48.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CD ' ' HA ' ' A' ' 37' ' ' ARG . 28.7 mt-30 -86.67 -25.12 24.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.66 -47.78 44.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.552 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 4.2 pt20 -45.07 -24.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.19 152.64 32.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -128.86 157.52 41.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 p -41.57 -28.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.8 mm -71.27 -69.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -46.08 -45.29 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.76 -38.33 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -47.91 -40.69 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.627 ' HB3' HD22 ' A' ' 33' ' ' LEU . 13.6 mtm -61.93 -37.13 83.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -76.49 -31.22 57.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.16 -39.51 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.597 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -62.26 -53.27 57.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -118.98 84.05 25.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.01 -54.91 12.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.13 -14.86 9.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m 67.38 31.75 6.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.54 -34.71 5.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.807 HD22 HD13 ' A' ' 10' ' ' LEU . 16.9 tp -39.57 -46.89 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.16 -69.1 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG2' HD11 ' A' ' 29' ' ' LEU . 12.0 tptp -39.38 -34.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' ILE . 2.9 tm? -74.07 -60.3 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' LEU . 56.2 mt -34.96 -55.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -51.58 -53.03 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -47.36 -32.3 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.758 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 58.7 m -74.79 -31.92 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.35 -54.84 42.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -50.29 -39.1 44.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.69 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 3.2 t -87.23 122.22 71.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.57 16.48 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.749 2.299 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.519 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -102.74 -15.18 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD22 HG22 ' A' ' 17' ' ' ILE . 67.2 mt -105.12 -19.76 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -46.58 -39.62 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -52.01 -48.96 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.17 -38.73 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -48.01 -64.82 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.63 -45.17 48.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.24 -41.11 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.72 -42.4 97.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.75 -48.98 79.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -39.65 -50.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' CB ' HD21 ' A' ' 10' ' ' LEU . 26.5 mt-10 -67.48 -54.86 16.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -38.27 -49.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 t -117.12 119.33 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -132.58 80.26 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 t 39.79 52.15 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.15 146.27 39.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -50.11 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -71.76 154.71 41.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 84.3 p -77.89 159.34 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -45.41 -54.08 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -68.49 124.91 24.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.02 136.39 5.55 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -109.0 87.91 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.1 p -105.67 62.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.09 57.5 0.53 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 8' ' ' ILE . 4.3 mp -111.84 153.88 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' LEU . 11.1 p -159.31 146.15 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.756 HD11 HD22 ' A' ' 62' ' ' LEU . 6.4 tt -42.85 -23.88 0.05 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -71.56 -41.54 68.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.8 mmm180 -45.14 -21.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 11' ' ' LEU . . . -42.23 -24.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 15.2 mt -92.43 -51.03 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.87 -13.83 60.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -66.81 -42.39 85.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.2 pt -86.78 131.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.31 156.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -51.07 -22.64 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -59.78 -57.35 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.6 m-85 -71.3 -45.24 63.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 11.1 t80 -42.4 -44.53 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -52.27 -55.83 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.554 ' H ' HD12 ' A' ' 24' ' ' LEU . 7.1 mp -48.25 -49.93 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.44 -47.97 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -56.08 -28.89 59.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -73.46 -43.76 59.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.2 mt -67.61 -28.25 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.4 mm? -94.11 -17.46 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.2 -38.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.6 -48.78 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.34 -62.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.0 -11.71 41.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 60.5 37.57 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.91 166.07 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ASP . 10.0 mt-10 -91.98 98.71 11.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -38.38 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' GLU . 5.3 m-20 -91.84 -40.71 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.544 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 11.9 t-20 -102.98 46.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -87.01 -21.43 26.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 15.0 pt-20 -76.03 -48.17 22.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.544 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 6.0 pt20 -45.43 -29.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 33.6 m-85 -72.84 158.95 34.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' ILE . 67.1 p -138.14 156.89 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.2 p -41.52 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.9 mm -76.55 -69.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -47.44 -39.7 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mm -70.33 -36.5 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -57.55 -65.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -45.67 -61.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.7 mtm -43.47 -35.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -78.3 -46.19 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -42.73 -42.88 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LYS . 13.9 mt-10 -84.77 -54.17 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' GLU . 43.9 tptt -37.01 -52.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -114.18 87.73 13.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 2.19 3.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.299 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.72 -56.99 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.52 17.35 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p 46.14 27.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 -28.58 10.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.756 HD22 HD11 ' A' ' 10' ' ' LEU . 28.4 tp -40.95 -53.12 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.12 52.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.507 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' HD21 ' A' ' 29' ' ' LEU . 7.5 tppt? -56.86 -40.7 76.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.2 tm? -68.62 -50.67 49.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mt -42.13 -57.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -50.93 -45.99 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.55 -28.17 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 79' ' ' ALA . 5.1 m -83.26 -16.24 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.41 -43.99 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.41 -14.24 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.654 HG12 ' H ' ' A' ' 74' ' ' ALA . 15.4 t -110.36 120.41 44.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.9 -6.42 18.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.654 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -102.0 -7.54 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.1 mt -117.89 -13.56 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -54.23 -23.0 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -66.21 -42.91 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -78.97 -37.52 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . . . -45.1 -60.64 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -52.5 -41.89 63.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.87 -38.27 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.403 HD23 ' OE2' ' A' ' 85' ' ' GLU . 49.9 mt -70.46 -31.86 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.28 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -66.01 -54.6 23.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.999 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 86' ' ' ARG . 11.9 pt-20 -60.42 -40.22 90.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' GLU . 27.7 ttt180 -36.95 -58.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -66.34 142.24 57.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -115.82 -45.93 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.5 t -85.91 -35.79 20.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -44.33 148.0 1.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.427 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 138.11 36.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.7 p -135.86 167.82 20.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.818 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.8 p -142.04 136.1 29.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.214 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -139.12 150.11 45.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -122.28 144.32 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.77 -54.24 0.21 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -99.35 130.11 45.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 m -116.3 43.06 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.89 69.32 0.38 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.0 mt -90.13 142.99 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -135.73 145.11 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -46.45 -21.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -87.78 -38.29 15.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.1 ttt85 -46.7 -25.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.47 -25.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ARG . 23.9 mt -89.22 -61.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -48.07 -41.8 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.8 t -45.54 -56.21 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 21.0 pt -71.17 143.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -73.18 153.59 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -41.34 -33.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -49.11 -61.1 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' HA ' HD13 ' A' ' 24' ' ' LEU . 17.9 m-85 -69.84 -45.36 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 27.9 t80 -45.9 -42.09 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -55.9 -37.19 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.0 mp -67.67 -46.73 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.0 t80 -53.18 -45.52 68.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ALA . 31.3 mtmt -57.4 -35.38 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.7 t -70.06 -35.35 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 25' ' ' PHE . 8.3 mt -74.45 -25.45 59.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -99.82 -21.95 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.95 -51.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.22 -51.44 68.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -61.48 -62.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.544 HD21 ' HG2' ' A' ' 52' ' ' MET . 21.9 mt -74.17 3.93 6.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.413 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 25.9 t30 43.59 44.71 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.76 173.88 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 40' ' ' GLN . 4.5 mm-40 -111.8 108.26 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' GLU . 85.7 mtt180 -35.92 -41.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -42.92 69.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.751 ' ND2' ' CE2' ' A' ' 43' ' ' TYR . 2.3 t30 -91.32 6.87 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 26.1 mt-30 -74.57 -15.56 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' GLN . 7.8 pt-20 -94.58 -55.36 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 39' ' ' ASN . 6.4 pt20 -54.31 -40.15 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.751 ' CE2' ' ND2' ' A' ' 39' ' ' ASN . 1.6 m-85 -38.8 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.7 p -120.58 152.11 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.4 p -45.31 -29.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.98 -65.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -41.13 -53.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.66 -39.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.66 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' MET . 61.1 m-80 -43.97 -67.36 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' ASN . 14.2 mtm -36.9 -41.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.544 ' HG2' HD21 ' A' ' 33' ' ' LEU . 72.9 mtp -72.54 -57.78 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -38.4 -35.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.84 -45.77 10.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 38.7 tptt -52.57 -42.4 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -127.75 84.26 63.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -0.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.81 -51.46 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.27 -12.65 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.7 p 47.63 29.13 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.77 -23.8 21.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.4 tp -45.1 -65.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -54.06 -60.74 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG2' HD11 ' A' ' 29' ' ' LEU . 1.8 tppt? -44.65 -40.88 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.788 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tm? -72.15 -41.31 67.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.538 HD12 ' HA2' ' A' ' 63' ' ' GLY . 56.7 mt -49.48 -55.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.196 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.72 -44.53 69.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -52.08 -34.59 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.8 m -76.81 -41.63 43.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.77 -60.19 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 72' ' ' VAL . 4.3 pt-20 -39.86 -41.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 75' ' ' LEU . 2.4 t -88.72 130.09 46.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -21.66 33.38 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.709 2.272 . . . . 0.0 112.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -5.92 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.5 HD12 HG21 ' A' ' 72' ' ' VAL . 90.7 mt -114.72 -17.01 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -51.5 -25.8 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -62.6 -37.0 84.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -78.16 -49.0 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.09 -65.74 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 20.0 pt-20 -44.27 -51.85 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 80' ' ' GLU . 74.8 mt -55.27 -49.88 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.82 -60.39 3.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -46.2 -43.28 15.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 14.5 tmtt? -47.8 -48.64 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -81.5 -23.71 37.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -54.13 -55.43 27.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -115.4 148.78 38.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' SER . 7.8 pt-20 -106.35 93.22 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' GLU . 2.6 m 34.64 38.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.9 -175.02 50.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 -17.06 37.26 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.651 2.234 . . . . 0.0 112.271 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -63.57 -60.63 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.4 p -57.87 -53.12 61.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -79.23 84.8 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 60.49 38.99 18.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.65 -147.08 21.86 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 m 40.9 51.32 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -89.47 42.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.43 50.27 3.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.8 mt -73.19 129.23 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.4 151.69 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.73 HD23 HD22 ' A' ' 62' ' ' LEU . 11.1 mp -50.81 -29.97 13.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -65.49 -33.94 77.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -55.57 -16.04 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.4 -29.12 30.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.47 -50.6 9.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.1 -35.69 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 m -46.43 -57.72 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 pt -67.17 144.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' HIS . 50.6 m-80 -71.24 143.23 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' ASN . 44.4 mmtm -36.56 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' ASN . 41.8 t60 -55.19 -57.58 11.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.437 ' HA ' HD13 ' A' ' 24' ' ' LEU . 14.6 m-85 -67.95 -43.01 80.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 21.9 t80 -45.93 -39.63 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -57.27 -39.97 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.0 mp -66.55 -43.52 84.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.82 -44.27 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 28.2 mtmt -61.43 -21.79 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.5 t -72.5 -45.7 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.29 -28.48 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.645 HD11 ' HE2' ' A' ' 64' ' ' LYS . 2.9 mm? -89.6 -27.6 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -36.83 -46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.6 -53.0 61.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -65.39 -63.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 51' ' ' MET . 22.1 mt -61.2 -22.34 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 74.81 27.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.16 177.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mm-40 -63.08 148.81 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' NE ' ' HB3' ' A' ' 38' ' ' ASP . 3.0 ppt_? -64.91 -37.39 87.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 4.8 t70 -134.02 -34.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -76.44 49.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 9.0 mt-30 -86.44 -35.86 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -44.36 -39.41 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -50.09 -41.11 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -62.06 140.91 58.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.6 p -104.82 -174.78 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 p -74.17 -28.17 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.8 mt -74.58 -70.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 46' ' ' ILE . 67.8 mt-30 -33.6 -57.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.9 mm -55.15 -43.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.45 -47.02 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' GLU . 37.4 m-80 -62.94 -64.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.407 ' HB3' HD22 ' A' ' 33' ' ' LEU . 22.4 mtm -39.58 -39.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.453 ' HE2' ' HA2' ' A' ' 61' ' ' GLY . 32.2 mtp -74.41 -35.45 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASN . 6.5 mt-10 -58.45 -36.87 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 50' ' ' ASN . 1.7 pm0 -92.31 -33.7 14.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 17.6 tptm -66.88 -59.96 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -113.67 84.06 7.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.66 10.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.73 -57.99 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.6 -1.76 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.6 m 54.49 30.81 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.453 ' HA2' ' HE2' ' A' ' 52' ' ' MET . . . 100.99 -27.43 20.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.73 HD22 HD23 ' A' ' 10' ' ' LEU . 13.9 tp -38.96 -63.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.34 5.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.562 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.645 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.44 -38.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.2 tm? -68.98 -53.8 18.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.496 HD13 ' HG2' ' A' ' 83' ' ' LYS . 51.3 mt -42.12 -54.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.28 -56.31 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -40.41 -45.25 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.711 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 90.6 m -61.95 -53.45 55.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' CYS . 17.6 mt-10 -37.01 -58.43 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -45.66 -47.69 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.651 HG12 ' H ' ' A' ' 74' ' ' ALA . 13.2 t -84.69 120.34 73.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.37 6.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.651 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -105.62 -7.75 18.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.4 mt -116.07 -17.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -42.68 -43.69 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -54.66 -40.04 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.15 -40.66 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -51.88 -66.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.468 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.9 pt-20 -45.96 -52.07 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.5 mt -49.21 -36.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.02 -24.65 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HG2' HD13 ' A' ' 66' ' ' ILE . 30.3 mtmt -80.7 -41.36 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -46.33 -37.73 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -82.95 -45.41 14.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -48.74 -43.78 37.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -88.06 111.18 21.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 89' ' ' SER . 32.5 mt-10 -126.98 90.72 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 88' ' ' GLU . 3.4 m 34.57 43.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.85 -176.8 8.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.71 -1.54 8.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.609 2.206 . . . . 0.0 112.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' PRO . 49.1 m -37.79 121.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -108.62 140.8 41.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -140.92 135.73 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -58.58 126.14 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.49 129.94 9.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.415 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -132.85 101.56 5.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.814 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -66.83 -50.43 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . 82.81 -36.27 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 95.6 mt -37.27 135.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 111.117 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 p -145.15 144.14 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.84 HD23 ' HB2' ' A' ' 62' ' ' LEU . 6.0 mp -38.49 -33.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.992 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -56.07 -54.91 39.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . 28.3 ttt-85 -35.15 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -36.06 -31.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ARG . 38.4 mt -84.94 -57.04 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -49.21 -44.48 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.9 t -39.14 -61.78 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.485 HG22 HD22 ' A' ' 75' ' ' LEU . 30.9 pt -65.63 146.83 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 19' ' ' LYS . 3.1 m120 -79.45 150.34 31.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 2.1 mptm? -35.71 -46.09 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -40.36 -61.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.618 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 22.0 m-85 -69.51 -44.15 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 19.7 t80 -42.33 -44.28 3.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -53.54 -42.24 67.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.85 -43.69 82.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 35.8 t80 -55.01 -47.05 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.975 0.417 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 38.9 mtmt -59.72 -34.53 73.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -39.83 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.69 -34.62 74.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.529 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.5 mm? -86.47 -25.57 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.8 -49.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.83 -51.39 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 53.8 m-20 -63.69 -61.38 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.795 HD22 ' HB3' ' A' ' 51' ' ' MET . 26.0 mt -73.91 4.03 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 m120 42.63 47.4 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.09 -176.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 39' ' ' ASN . 4.5 mt-10 -82.93 -173.89 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.76 8.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -26.77 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.738 ' ND2' ' CE2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -77.1 -5.87 50.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 19.6 mt-30 -61.99 -9.7 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -88.01 -61.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' TYR . 7.2 pt20 -44.76 -47.68 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.738 ' CE2' ' ND2' ' A' ' 39' ' ' ASN . 2.3 m-85 -35.23 152.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -125.62 159.27 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.6 p -42.3 -26.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' A' ' 46' ' ' ILE . 18.5 mm -74.86 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -46.76 -43.63 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.91 -32.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.992 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.14 -67.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -38.47 -65.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.795 ' HB3' HD22 ' A' ' 33' ' ' LEU . 13.6 mtm -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.3 mtp -70.08 -43.09 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -51.62 -41.77 61.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -79.49 -38.92 33.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.768 ' HG3' HD23 ' A' ' 33' ' ' LEU . 16.5 mmtm -58.71 -52.05 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.34 84.46 56.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 0.23 5.96 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.67 2.246 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.54 -54.75 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -108.59 -11.04 15.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 p 59.05 29.52 19.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.93 -7.05 81.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' A' ' 10' ' ' LEU . 8.6 tp -50.96 -51.2 54.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.57 -49.45 64.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HG2' HD21 ' A' ' 29' ' ' LEU . 1.5 tptm -49.42 -43.28 44.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 1.9 tm? -66.2 -59.82 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' LEU . 49.5 mt -34.39 -59.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -48.96 -57.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -41.04 -40.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 58.5 m -68.35 -51.22 46.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HA ' ' CG ' ' A' ' 76' ' ' ARG . 19.2 mm-40 -42.75 -50.41 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -51.39 -45.77 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.704 HG12 ' H ' ' A' ' 74' ' ' ALA . 20.4 t -86.99 123.76 69.81 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.642 0.734 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.704 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -108.48 0.54 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 HG22 ' A' ' 17' ' ' ILE . 93.4 mt -124.18 -17.1 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 6.1 mtt-85 -50.93 -32.7 21.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -53.2 -42.96 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -77.62 -42.14 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -42.32 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.434 ' C ' ' OE1' ' A' ' 80' ' ' GLU . 0.9 OUTLIER -49.68 -43.76 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.84 -46.38 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.34 -45.83 92.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -55.66 -30.45 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -64.09 -36.07 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' ARG . 29.9 mt-10 -88.42 -36.62 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HB2' HD21 ' A' ' 62' ' ' LEU . 53.9 ttt180 -35.88 -52.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.3 m -83.23 105.87 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -120.84 -16.2 8.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.5 p -130.77 -0.35 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -118.68 -174.24 16.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 136.23 32.44 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 p -125.25 -42.89 1.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.5 m -51.15 -47.14 62.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -75.68 130.21 38.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -78.19 137.94 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.69 141.26 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -122.46 120.93 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.829 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 8' ' ' ILE . 3.2 t -103.92 -56.65 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . 87.31 -60.75 4.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.4 mp -34.92 141.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 11' ' ' LEU . 3.2 p -169.36 151.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 62' ' ' LEU . 23.6 mt -44.08 -33.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.082 HD11 ' HB1' ' A' ' 49' ' ' ALA . 7.0 tt -56.39 -39.89 73.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -38.94 -28.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -41.65 -35.51 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.99 -65.03 0.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -49.78 -20.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.57 -53.3 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.426 HD12 ' CA ' ' A' ' 22' ' ' PHE . 7.5 pt -72.72 140.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.188 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -67.88 160.56 28.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -48.47 -22.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -60.21 -62.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.421 ' HA ' HD13 ' A' ' 24' ' ' LEU . 9.7 m-85 -71.33 -39.67 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CA ' HD12 ' A' ' 17' ' ' ILE . 25.3 t80 -48.93 -45.74 42.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -48.12 -44.26 31.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.1 mp -60.52 -58.94 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 28' ' ' LEU . 13.8 t80 -40.99 -49.17 3.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 35' ' ' LEU . 40.1 mtmt -54.36 -40.01 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -68.52 -37.7 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' PHE . 15.3 mt -71.41 -26.41 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' HG2' ' A' ' 64' ' ' LYS . 3.9 mm? -96.89 -14.84 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . . . -42.2 -38.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -70.9 -51.39 26.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.01 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 52' ' ' MET . 69.1 mt -63.53 -20.52 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.7 t30 69.78 37.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 43' ' ' TYR . 21.1 mt -68.02 170.94 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' ASP . 14.3 mt-10 -88.91 98.36 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 73.7 mtm180 -33.09 -34.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -94.18 -55.16 3.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 2.4 t-20 -83.32 45.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.566 ' NE2' ' HB2' ' A' ' 30' ' ' ALA . 16.5 mt-30 -87.32 -10.11 53.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.2 pp20? -80.2 -47.15 15.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 8.5 pt20 -44.83 -30.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 35' ' ' LEU . 23.6 m-85 -74.5 150.56 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.969 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -129.96 168.39 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -50.88 -26.66 6.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.32 -68.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -45.93 -46.19 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.983 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.84 -37.94 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.082 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -58.54 -62.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -46.42 -57.62 4.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.425 ' HB3' HD22 ' A' ' 33' ' ' LEU . 14.0 mtm -43.69 -45.67 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.499 ' HG2' HD21 ' A' ' 33' ' ' LEU . 55.3 mtp -67.33 -52.17 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -43.1 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -96.15 -40.93 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.0 tptp -56.98 -58.83 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -109.65 84.63 3.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 110.816 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -1.02 7.77 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.02 -55.76 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -117.5 -9.81 10.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.6 m 62.93 30.4 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.78 -18.55 49.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 10' ' ' LEU . 12.6 tp -41.25 -46.85 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.94 -59.63 4.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.484 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' LEU . 10.9 tptp -42.32 -36.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 82' ' ' LEU . 3.5 tm? -70.83 -56.17 6.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.467 HD13 ' HG2' ' A' ' 83' ' ' LYS . 36.2 mt -40.81 -55.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -51.2 -50.86 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -51.84 -32.37 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.421 ' CB ' ' HB3' ' A' ' 75' ' ' LEU . 64.6 m -81.87 -29.87 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.21 -47.32 77.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 72' ' ' VAL . 7.9 pt-20 -54.11 -29.98 46.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.2 t -97.7 130.01 30.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -14.17 35.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.17 -16.58 22.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 69' ' ' CYS . 86.1 mt -104.32 -25.69 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -41.34 -33.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -61.7 -42.98 99.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 81' ' ' ILE . 33.6 mmt180 -73.43 -43.09 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 66' ' ' ILE . . . -43.72 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.7 pt-20 -47.48 -48.27 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 78' ' ' ARG . 91.8 mt -53.53 -36.94 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 65' ' ' LEU . 37.4 mt -74.02 -21.82 59.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 80' ' ' GLU . 35.8 mtmt -77.8 -42.54 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -43.28 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.51 -40.52 57.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -42.68 -52.18 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -88.47 149.07 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.62 83.77 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t 39.34 41.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.75 153.0 16.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.56 65.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.373 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.2 m -157.3 162.7 39.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 p -87.89 -10.38 50.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -81.69 156.04 25.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 0.0 110.805 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -73.53 136.79 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.04 -106.77 3.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.8 p -158.9 156.71 30.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -85.12 42.89 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.91 91.17 1.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.6 mt -125.87 127.77 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.6 t -125.75 148.47 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 62' ' ' LEU . 7.8 tp -55.24 -23.37 22.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.067 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -81.96 -37.24 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -43.18 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -43.92 -29.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.51 -36.54 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.718 0.294 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.18 -21.25 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' HG23 ' A' ' 17' ' ' ILE . 2.1 p -60.3 -21.5 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.515 HG23 ' SG ' ' A' ' 16' ' ' CYS . 15.6 pt -119.84 158.98 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.1 t-20 -104.63 166.5 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 2.6 tmtm? -36.04 -41.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -45.2 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' CD2' HD21 ' A' ' 75' ' ' LEU . 9.4 m-85 -63.11 -37.01 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 6.1 t80 -50.35 -43.07 54.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -52.92 -34.9 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.3 mp -73.89 -41.34 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 17.1 t80 -62.51 -44.69 95.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 47.6 mtmt -61.62 -29.4 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.5 t -66.44 -44.74 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.3 mm? -90.02 -21.25 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -36.65 -50.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.2 -56.42 22.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 51' ' ' MET . 78.2 mt -68.99 -3.36 12.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.6 t-20 51.35 41.22 27.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 26' ' ' LYS . 44.8 mt -63.92 163.52 11.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 1.3 mp0 -92.1 98.13 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -35.01 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -89.18 -42.73 11.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.9 m120 -97.48 40.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.25 -26.85 23.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 49.7 mt-10 -75.16 -43.01 54.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -50.48 -20.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -77.84 167.44 21.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -145.21 163.03 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.7 p -45.06 -27.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.74 -69.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.17 -44.61 10.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mm -65.69 -41.27 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.067 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -52.81 -61.48 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -48.62 -54.37 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.694 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.5 mtm -44.08 -42.15 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.8 mtp -74.1 -50.9 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -38.6 -43.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.92 -53.81 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 15.4 tptp -53.78 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -107.38 82.58 1.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.697 0.761 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 54.5 Cg_endo -69.77 -7.78 21.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.63 2.22 . . . . 0.0 112.4 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -58.99 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.505 ' O ' HD11 ' A' ' 10' ' ' LEU . 42.0 m-20 -124.55 1.13 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m 57.53 26.63 12.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.18 -32.63 7.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HB2' HD12 ' A' ' 10' ' ' LEU . 10.8 tp -41.0 -44.94 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.11 -67.63 1.83 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' HD11 ' A' ' 29' ' ' LEU . 15.4 tptp -38.81 -32.95 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.472 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.9 tm? -73.42 -57.98 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LEU . 54.5 mt -33.93 -52.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -53.66 -52.47 59.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -45.36 -40.69 8.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 80.0 m -65.06 -41.75 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -44.92 -50.52 10.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -53.78 -46.73 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 74' ' ' ALA . 15.9 t -83.41 121.93 76.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -23.84 30.06 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.701 2.268 . . . . 0.0 112.3 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.79 -21.61 37.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 21' ' ' TYR . 52.7 mt -95.61 -29.78 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' LEU . 39.9 mtp180 -38.32 -35.68 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -51.23 -48.98 61.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 81' ' ' ILE . 23.4 mmt180 -72.09 -41.26 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -43.51 -66.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 14.3 pt-20 -48.86 -41.14 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 78' ' ' ARG . 69.7 mt -61.14 -42.46 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.73 -44.76 96.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.68 -46.24 84.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -44.77 -52.85 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.66 -51.28 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -38.4 -48.49 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -72.38 96.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -109.1 -37.94 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.6 m -97.6 -51.56 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.73 -178.76 24.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.4 Cg_endo -69.69 2.73 3.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 91' ' ' PRO . 58.5 m -34.51 111.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 t -71.66 -40.15 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p 41.83 41.99 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -109.4 133.54 52.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.0 118.5 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -132.93 153.03 51.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -110.3 40.16 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.01 47.54 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.529 HG23 ' CD ' ' A' ' 12' ' ' ARG . 5.3 mp -104.25 137.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.546 HG22 ' N ' ' A' ' 10' ' ' LEU . 11.2 p -165.39 164.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.826 HD13 HD22 ' A' ' 62' ' ' LEU . 24.3 mt -49.46 -32.89 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.88 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -56.37 -43.35 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' CD ' HG23 ' A' ' 8' ' ' ILE . 7.6 ptt85 -42.11 -25.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -38.51 -27.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' ARG . 79.0 mt -84.61 -58.42 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -48.27 -30.6 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.06 -59.7 4.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -67.38 152.14 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 36.7 p30 -85.63 148.81 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 40.6 mmtt -35.52 -34.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.1 t60 -51.46 -57.02 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.553 ' HA ' HD13 ' A' ' 24' ' ' LEU . 17.3 m-85 -73.44 -48.94 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -41.63 -47.11 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -48.64 -41.83 32.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.9 mp -63.35 -55.93 20.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.705 ' HA ' HD12 ' A' ' 28' ' ' LEU . 6.1 t80 -43.53 -47.13 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -56.74 -46.94 81.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -56.01 -30.56 62.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 25' ' ' PHE . 8.0 mt -80.76 -53.11 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -67.94 -19.25 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -35.57 -53.13 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -53.69 -61.43 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.29 -63.3 1.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 29' ' ' LEU . 95.2 mt -59.62 -15.62 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 30' ' ' ALA . 64.6 t30 64.88 37.22 7.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 30' ' ' ALA . 11.6 mt -67.15 159.45 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ASP . 4.0 mm-40 -86.93 110.61 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -34.26 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' GLU . 13.5 t0 -93.42 -57.07 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.41 ' HB3' ' CD ' ' A' ' 42' ' ' GLN . 60.6 m-20 -81.32 47.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mt-30 -86.7 -48.42 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' TYR . 5.1 pt-20 -70.01 -39.44 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.41 ' CD ' ' HB3' ' A' ' 39' ' ' ASN . 3.8 pt20 -45.06 -21.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' GLU . 29.6 m-85 -72.45 164.52 26.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' THR . 69.0 p -122.17 145.74 47.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . 40.0 p -35.52 -35.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.8 mp -69.03 -69.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -43.27 -40.78 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.09 -39.8 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.88 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -67.0 -57.27 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' HG22 ' A' ' 46' ' ' ILE . 18.6 m120 -44.96 -56.66 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.444 ' CB ' HD22 ' A' ' 33' ' ' LEU . 20.1 mtm -51.51 -35.24 39.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.434 ' CG ' HD21 ' A' ' 33' ' ' LEU . 78.5 mtp -75.68 -37.39 59.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.49 -36.37 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.42 -46.13 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -49.81 -56.84 8.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.59 83.46 4.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.688 0.756 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.85 4.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.56 -55.55 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.25 -12.79 14.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m 61.04 31.05 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.51 -10.64 70.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.826 HD22 HD13 ' A' ' 10' ' ' LEU . 34.6 tp -54.59 -47.07 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.27 -54.97 11.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.549 ' HG2' HD11 ' A' ' 29' ' ' LEU . 14.8 tptp -49.73 -35.96 23.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -73.85 -49.19 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.461 HG23 ' HB1' ' A' ' 79' ' ' ALA . 15.7 mt -48.18 -51.44 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.49 -42.51 74.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -57.83 -33.61 68.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 77.8 m -74.16 -37.51 63.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.61 -48.93 79.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.597 ' HG3' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -48.52 -27.84 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.597 HG23 ' HG3' ' A' ' 71' ' ' GLU . 2.2 t -102.78 130.5 23.71 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -20.19 35.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.89 -0.61 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 72' ' ' VAL . 96.7 mt -122.59 -23.28 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -53.08 -38.13 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.26 -41.86 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -55.65 -53.94 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.92 -33.57 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.62 -35.52 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 79' ' ' ALA . 11.5 mt -70.54 -39.38 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -56.76 -47.57 79.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -43.82 -51.08 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.81 -43.85 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -44.34 -40.4 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.8 p -102.38 141.4 35.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -109.76 -56.08 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.5 m -75.4 -49.79 17.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.52 146.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.72 -4.5 14.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 91' ' ' PRO . 9.5 m -34.55 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -152.83 142.67 22.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.572 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -142.96 176.27 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.872 0.367 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -46.21 165.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.48 -156.87 1.62 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -145.94 137.38 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -128.35 43.57 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.38 58.43 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -103.14 136.38 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 10' ' ' LEU . 14.6 p -165.1 161.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.731 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.3 mp -47.21 -34.62 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.544 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -62.64 -46.34 88.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.1 ttt85 -40.99 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -42.74 -23.0 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 69.0 mt -85.6 -45.47 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.16 -36.33 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.75 -59.37 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.711 HG22 HD22 ' A' ' 75' ' ' LEU . 24.0 pt -63.07 150.44 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 19' ' ' LYS . 32.4 m-80 -71.59 136.31 47.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 18' ' ' ASN . 13.4 mmtp -34.3 -42.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -48.05 -49.52 31.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' HA ' HD13 ' A' ' 24' ' ' LEU . 24.0 m-85 -71.4 -45.01 63.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 28.8 t80 -41.68 -43.32 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 t -54.07 -39.44 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.9 mp -66.62 -44.15 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -55.34 -42.91 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 35' ' ' LEU . 40.7 mtmt -61.04 -24.87 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t -74.71 -49.04 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -25.08 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.3 mm? -98.35 -19.02 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.29 -37.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.5 -48.93 36.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.57 -63.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 51' ' ' MET . 69.1 mt -67.78 -11.09 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 59.1 48.59 10.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.718 HD22 ' CD2' ' A' ' 43' ' ' TYR . 29.1 mt -75.54 164.31 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' ASN . 19.2 mt-10 -89.44 98.39 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.3 ptp180 -41.27 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.8 t70 -95.16 -33.44 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -112.52 47.0 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -85.12 -10.64 56.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.32 -48.66 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.453 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 3.6 pt20 -45.61 -35.22 3.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.718 ' CD2' HD22 ' A' ' 35' ' ' LEU . 38.5 m-85 -69.22 123.3 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.9 p -99.04 -174.77 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.5 p -69.42 -15.42 63.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.0 mt -88.07 -70.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' ILE . 75.6 mt-30 -36.07 -47.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.4 mm -63.13 -40.62 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -57.33 -45.19 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.661 ' HB3' HD22 ' A' ' 33' ' ' LEU . 15.3 mtm -45.71 -38.47 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.7 mtp -71.91 -46.54 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -48.44 -32.77 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.38 -45.99 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HG3' HD23 ' A' ' 33' ' ' LEU . 24.8 mmmt -53.51 -51.83 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.63 83.85 35.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.69 1.38 4.44 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.2 -55.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -7.99 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m 52.63 27.31 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.88 19.4 53.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 10' ' ' LEU . 15.5 tp -78.39 -71.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.7 -58.07 6.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -43.84 -35.75 2.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.6 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -78.83 -47.01 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.971 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 62' ' ' LEU . 58.0 mt -46.61 -53.93 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.1 -47.55 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -49.0 -32.04 8.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.84 -37.28 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLU . 21.8 mm-40 -56.33 -62.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 10.7 pt-20 -36.77 -39.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.79 130.15 39.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.667 0.746 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.93 32.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.765 2.31 . . . . 0.0 112.296 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.09 53.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 HG22 ' A' ' 17' ' ' ILE . 90.3 mt -114.11 -17.0 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -46.73 -55.47 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -45.67 -32.8 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.418 HH11 ' CA ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.89 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.69 -27.48 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.2 mt -79.9 -47.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.58 -27.43 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -78.87 -51.92 9.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -63.46 -35.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 86' ' ' ARG . 4.1 tp10 -79.29 -38.8 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' GLU . 35.8 ttt180 -36.92 -55.43 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.3 m -68.15 135.44 52.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.51 -50.96 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 t -120.99 44.52 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -129.77 -161.88 10.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 95.36 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.388 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 t -170.84 149.46 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.8 p -123.77 161.13 25.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t -122.46 98.38 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -115.08 170.27 8.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.56 -121.59 1.03 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m 53.61 43.91 30.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -111.49 78.73 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.61 58.82 0.6 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mt -103.42 129.52 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 12' ' ' ARG . 13.5 p -111.42 148.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.694 ' H ' HD12 ' A' ' 10' ' ' LEU . 2.3 mp -40.05 -28.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.758 HD11 ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt -73.25 -42.34 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' VAL . 16.0 mmt180 -44.46 -25.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.02 -24.09 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.06 -64.38 1.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -48.62 -31.54 6.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.65 -51.14 61.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.478 HG22 HD22 ' A' ' 75' ' ' LEU . 17.6 pt -76.34 150.71 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 69.4 m-80 -79.92 144.98 32.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.5 mmtp -34.81 -43.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -41.43 -62.58 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 10.4 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -44.88 -39.6 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -56.27 -36.13 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.31 -48.08 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 24.4 t80 -50.93 -47.3 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.1 mtmt -58.37 -41.05 83.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -60.98 -42.43 98.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' A' ' 68' ' ' PHE . 17.6 mt -66.13 -42.84 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.4 mm? -79.74 -21.31 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.46 -54.89 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.67 -62.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.92 -10.81 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.7 m-20 55.09 32.03 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.78 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -77.49 175.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -83.27 -49.25 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.75 -17.08 10.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 24.8 m-20 -86.42 36.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -84.23 -36.58 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -75.82 -37.97 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -54.26 -15.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -76.92 168.2 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -119.69 -174.83 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.1 p -78.46 -23.06 46.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.0 mt -78.4 -70.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 46' ' ' ILE . 31.5 mt-30 -33.88 -55.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.11 -42.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.758 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -51.24 -63.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -47.66 -62.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.7 mtm -41.15 -42.87 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.3 mtp -67.66 -49.28 63.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.92 -44.07 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -81.65 -44.97 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 36.4 tptt -49.83 -64.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -108.86 83.41 2.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.47 3.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.272 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.73 -52.59 5.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.54 -2.35 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.6 m 53.92 25.13 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.23 -21.95 41.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.496 HD22 HD23 ' A' ' 10' ' ' LEU . 26.3 tp -39.17 -57.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.364 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.94 -65.42 3.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.676 ' HG2' HD11 ' A' ' 29' ' ' LEU . 21.4 tptt -40.01 -38.02 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.5 tm? -71.01 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' LEU . 53.4 mt -35.7 -53.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -53.26 -54.48 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 28' ' ' LEU . 31.1 t80 -44.13 -40.2 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 81.0 m -68.19 -48.31 65.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -40.79 -48.32 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.07 -45.82 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 74' ' ' ALA . 25.8 t -82.62 120.71 77.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -0.59 7.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.292 . . . . 0.0 112.333 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.729 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -103.44 -13.89 16.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 HG22 ' A' ' 17' ' ' ILE . 90.7 mt -111.24 -11.26 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -51.99 -49.32 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -52.24 -29.9 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -84.83 -41.24 16.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.629 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.44 -56.23 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -37.96 63.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.48 -39.49 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 79' ' ' ALA . 12.5 mt -65.52 -16.21 63.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -91.07 -35.75 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -56.33 -50.62 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.74 -30.37 59.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' SER . 24.3 ttp85 -45.98 -50.91 14.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ARG . 19.9 p -35.55 142.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.92 -42.23 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 m -117.49 -21.51 8.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.55 -158.24 22.7 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 92' ' ' SER . 54.9 Cg_endo -69.74 1.54 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.408 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 91' ' ' PRO . 1.4 m -35.14 135.86 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -55.5 156.88 4.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.404 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' SER . 34.3 t 59.24 43.56 16.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.8 t 34.72 41.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.15 -115.53 1.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -106.5 159.34 16.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.907 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 m -121.02 78.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.79 47.18 3.38 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.468 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mm -75.83 132.56 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.19 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 11' ' ' LEU . 21.2 t -130.49 138.83 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -58.63 -16.46 16.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 49' ' ' ALA . 5.9 tp -90.97 -25.57 19.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -41.79 -23.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -46.96 -38.89 10.8 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.8 -60.03 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.55 -32.71 67.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' SG ' ' NE ' ' A' ' 78' ' ' ARG . 48.3 t -48.06 -59.07 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.626 HG22 HD22 ' A' ' 75' ' ' LEU . 26.1 pt -68.15 133.88 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 148.67 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -41.56 -33.35 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -52.4 -54.54 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' HA ' HD13 ' A' ' 24' ' ' LEU . 33.2 m-85 -71.92 -48.59 44.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 17.5 t80 -39.14 -48.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -49.48 -47.57 48.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.9 mp -55.38 -54.92 37.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.51 -46.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.22 -41.7 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -61.69 -34.58 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.03 -44.31 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 33' ' ' LEU . 3.1 mm? -75.02 -23.89 58.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.45 -43.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -62.21 -59.05 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.1 -61.99 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 29' ' ' LEU . 86.4 mt -63.67 -14.06 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m120 59.18 40.11 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 43' ' ' TYR . 14.3 mt -67.23 177.28 1.88 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLN . 19.8 mt-10 -104.41 104.92 14.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' N ' ' OE1' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -52.66 -20.77 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -102.9 -13.16 17.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' OD1' ' CD ' ' A' ' 42' ' ' GLN . 2.6 t-20 -132.98 30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.6 mt-30 -86.97 -12.54 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.8 -26.78 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 1.3 pt20 -74.1 -38.46 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CD2' HD22 ' A' ' 35' ' ' LEU . 18.3 m-85 -58.17 115.25 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -91.56 172.75 8.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.7 p -53.48 -30.57 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.0 mp -75.75 -64.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -47.57 -36.75 11.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 43' ' ' TYR . 25.3 mm -73.38 -36.54 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -68.1 -60.23 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -41.51 -51.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 mtm -53.38 -54.27 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.3 mtp -57.09 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -44.96 -25.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.29 -49.55 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' HD23 ' A' ' 33' ' ' LEU . 16.8 mmmt -46.76 -61.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -107.15 84.17 1.59 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 54.2 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.34 -57.9 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -8.51 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m 63.66 27.65 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.17 -7.54 81.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.569 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -49.66 -60.55 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -53.6 -56.84 18.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.94 -40.08 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.61 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.0 tm? -70.63 -44.18 67.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HA2' ' A' ' 63' ' ' GLY . 35.5 mt -51.38 -55.66 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -52.53 -47.91 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -52.56 -35.89 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 66.9 m -76.9 -26.52 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.68 -59.58 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -40.64 -34.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 74' ' ' ALA . 2.5 t -94.05 127.94 43.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.74 37.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -91.56 -15.75 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD22 HG22 ' A' ' 17' ' ' ILE . 59.2 mt -107.79 -17.66 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -47.62 -54.09 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -46.83 -28.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NE ' ' SG ' ' A' ' 16' ' ' CYS . 17.1 tpp180 -82.63 -44.78 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -52.26 -51.9 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -28.97 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.7 mt -77.93 -33.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 79' ' ' ALA . 25.3 mt -69.52 -38.71 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LYS . 45.9 mttm -62.05 -56.44 18.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' LYS . 16.1 tptp -35.24 -50.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.11 -47.57 70.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' SER . 73.1 ttt-85 -50.11 -76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 86' ' ' ARG . 1.0 OUTLIER 30.92 38.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.794 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 86' ' ' ARG . 2.2 pt-20 -103.59 96.65 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 p 60.23 25.02 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.22 160.86 42.73 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.94 2.12 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -125.49 41.22 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -140.38 166.68 24.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 68.26 38.41 2.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -139.0 119.67 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.95 160.73 24.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -122.43 174.06 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -100.6 51.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.42 54.75 0.54 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 9' ' ' VAL . 17.7 mt -103.31 153.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.708 HG12 ' H ' ' A' ' 11' ' ' LEU . 60.4 t -134.63 143.19 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.583 HD13 HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -50.94 -24.02 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.708 ' H ' HG12 ' A' ' 9' ' ' VAL . 11.4 tp -86.93 -32.87 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -43.75 -24.63 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.32 -21.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.59 -64.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -47.37 -31.89 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.64 -57.44 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.8 pt -69.02 152.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' HIS . 11.4 m120 -83.15 154.03 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -41.34 -26.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASN . 18.7 t60 -55.32 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 9.4 m-85 -70.4 -43.11 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 12.9 t80 -47.29 -39.42 14.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -55.49 -41.98 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.1 mp -63.77 -45.48 89.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -51.95 -47.49 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -59.87 -29.2 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -71.92 -33.99 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.11 -24.42 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -97.04 -19.1 18.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.77 -42.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.95 -50.35 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -69.79 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 51' ' ' MET . 65.2 mt -60.22 -13.08 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 61.85 35.92 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.92 171.29 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' ASP . 1.8 mm-40 -100.76 106.28 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' GLU . 77.8 mtp180 -34.97 -32.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.7 p-10 -83.3 -49.1 9.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.796 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 75.3 m-20 -92.99 41.79 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -86.92 -49.72 7.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.03 -42.33 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.71 -24.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 30.9 m-85 -69.42 162.93 26.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -111.85 -176.74 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 21.8 p -77.22 -19.89 56.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.2 mt -83.12 -70.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' ILE . 17.6 mt-30 -33.8 -55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.76 -44.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -51.38 -59.43 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.03 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' MET . 42.0 m-20 -46.94 -67.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.732 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.1 mtm -36.57 -45.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 56.3 mtp -67.47 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -38.62 -28.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' MET . 62.5 mm-40 -92.44 -47.79 6.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HG3' HD23 ' A' ' 33' ' ' LEU . 22.8 mmmt -53.9 -44.42 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.94 83.65 62.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -8.25 23.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.62 -58.23 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -100.49 -19.42 16.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m 62.83 30.99 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.15 19.07 58.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.583 HD13 HD13 ' A' ' 10' ' ' LEU . 27.6 tp -80.02 -71.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.98 -63.19 3.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -39.44 -38.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.629 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.3 tm? -77.58 -42.67 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.5 mt -51.46 -56.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.86 -43.75 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.56 -31.54 62.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.4 m -78.5 -23.76 46.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.94 -60.44 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.51 -28.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 74' ' ' ALA . 20.5 t -98.25 120.75 58.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.59 2.193 . . . . 0.0 112.382 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.672 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -111.79 -1.15 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.14 -16.9 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -45.17 -60.5 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.86 -28.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' ALA . 7.4 tpt180 -80.45 -56.77 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' ARG . . . -36.59 -65.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 11.9 pt-20 -41.39 -47.91 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.429 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 69.1 mt -58.73 -42.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.96 -37.36 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 33.2 mttt -68.66 -49.51 58.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -37.65 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' LYS . 29.2 mm-40 -95.9 -38.47 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' NE ' ' HG2' ' A' ' 83' ' ' LYS . 17.5 ptt180 -58.12 -31.89 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -137.65 155.26 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.91 -52.76 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.0 t -53.54 -40.98 65.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.05 -176.57 53.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -31.57 20.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -141.07 176.82 8.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.0 p -141.1 134.19 29.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.442 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t -92.4 -57.8 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -87.44 129.4 35.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.54 -115.99 3.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.437 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -93.89 125.91 38.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -63.94 -57.49 9.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.3 42.24 9.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mt -93.93 126.07 46.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 111.166 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.43 150.88 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.672 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -46.43 -30.6 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.54 -41.38 97.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LEU . 18.6 mtp180 -53.67 -21.77 7.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.37 -26.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ARG . 18.2 mt -83.96 -51.52 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.46 -37.52 72.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -44.88 -55.97 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.41 HG22 HD22 ' A' ' 75' ' ' LEU . 14.7 pt -68.95 138.25 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -63.54 156.68 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -53.27 -18.85 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -62.71 -60.28 3.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' HA ' HD13 ' A' ' 24' ' ' LEU . 15.4 m-85 -70.73 -42.9 69.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 23.0 t80 -43.22 -38.65 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -52.51 -47.05 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.7 mp -58.36 -56.1 26.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HA ' HD12 ' A' ' 28' ' ' LEU . 23.3 t80 -42.31 -49.57 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -58.9 -38.62 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -67.0 -28.96 68.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 25' ' ' PHE . 20.3 mt -79.72 -35.43 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.565 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.3 mm? -87.95 -22.83 24.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.93 -49.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -53.25 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.22 -63.06 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 51' ' ' MET . 40.6 mt -55.58 -23.57 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.2 t-20 71.43 35.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.58 169.44 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ASP . 18.7 mt-10 -97.07 97.93 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' HA ' ' CD ' ' A' ' 40' ' ' GLN . 63.9 mtt85 -35.55 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' GLU . 19.1 t0 -90.38 -50.31 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -90.26 40.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.431 ' CD ' ' HA ' ' A' ' 37' ' ' ARG . 6.8 mt-30 -87.14 -17.04 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -66.08 -43.2 88.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -53.04 -41.05 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HB3' HD11 ' A' ' 48' ' ' ILE . 45.4 m-85 -67.1 138.17 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -126.13 168.32 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.8 p -45.2 -25.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 46' ' ' ILE . 22.7 mm -76.02 -65.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.1 -51.68 51.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 43' ' ' TYR . 48.0 mm -55.5 -43.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.27 -62.84 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -47.4 -49.97 23.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.617 ' HB3' HD22 ' A' ' 33' ' ' LEU . 6.9 mtm -52.25 -36.62 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 38.8 mtp -75.28 -40.02 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -49.38 -42.32 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -84.85 -44.11 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -55.24 -63.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.92 84.44 3.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.675 0.75 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -4.54 14.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.24 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -115.57 -9.18 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m 63.34 28.09 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.78 7.77 70.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.564 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.49 -44.0 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.27 -52.14 28.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.565 ' HG2' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -52.07 -32.29 34.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -74.24 -51.35 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.5 mt -45.37 -57.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -50.21 -45.55 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.66 -31.24 64.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 m -76.78 -27.31 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.78 -53.75 42.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CG ' HG23 ' A' ' 72' ' ' VAL . 5.3 pt-20 -44.44 -34.36 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.458 HG23 ' CG ' ' A' ' 71' ' ' GLU . 46.7 t -101.13 126.45 34.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.105 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -27.67 26.58 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -78.9 -11.58 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 17' ' ' ILE . 93.1 mt -109.36 -12.57 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -61.18 -14.17 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -75.16 -25.84 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.83 -43.35 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.52 14.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.05 -33.4 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.0 -42.58 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.26 -47.87 54.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LYS . 12.5 mtpt -54.76 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' LYS . 7.3 tppt? -35.67 -56.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -57.56 -49.26 76.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -40.0 -58.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 p -78.02 135.83 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -124.19 -42.54 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.0 m -98.86 4.66 47.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.13 -158.74 18.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 128.3 15.8 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -124.72 147.36 48.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.7 p -133.91 135.52 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.431 -179.897 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -50.14 99.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -55.4 158.19 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.26 -106.34 0.42 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.411 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m -74.53 144.79 43.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -107.46 38.62 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.88 86.81 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.543 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.4 mt -133.69 132.05 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 111.171 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 10' ' ' LEU . 10.1 p -130.48 161.17 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.659 HD11 HD13 ' A' ' 62' ' ' LEU . 8.8 tp -49.97 -24.24 2.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.733 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -72.77 -32.63 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -52.96 -15.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.38 -17.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.4 mt -92.52 -55.61 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.298 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' CYS . 6.4 mm-40 -59.52 -41.84 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.5 t -37.11 -63.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.438 HG22 HD22 ' A' ' 75' ' ' LEU . 32.0 pt -60.34 136.8 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' HIS . 79.4 m-20 -56.11 143.38 33.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -39.49 -29.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 4.9 t-80 -53.31 -54.45 36.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.643 ' CD2' HD21 ' A' ' 75' ' ' LEU . 16.8 m-85 -74.49 -46.79 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -41.74 -45.71 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -54.54 -47.11 73.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.2 mp -55.76 -51.19 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -47.86 -45.49 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.99 -35.68 79.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -66.82 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.08 -37.69 81.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.3 mm? -84.37 -23.07 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -33.94 -51.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -51.57 -61.76 2.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -62.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.58 -11.44 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 5.0 m-80 55.93 38.41 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.87 -178.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -74.4 125.89 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtt-85 -32.99 -52.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -128.72 -27.18 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.484 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 5.8 t-20 -76.72 45.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.92 -29.11 35.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.71 -39.86 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -48.17 -31.48 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -77.49 154.68 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' THR . 73.5 p -119.78 149.45 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 33.3 p -35.89 -34.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.1 mp -66.38 -66.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -44.54 -41.15 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.3 mm -70.0 -28.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.733 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -78.12 -48.12 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.426 ' OD1' HG22 ' A' ' 46' ' ' ILE . 23.2 m120 -61.94 -42.81 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.3 mtm -60.12 -46.16 90.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HE3' ' CD1' ' A' ' 29' ' ' LEU . 27.2 mtp -67.06 -43.66 82.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -40.85 -38.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -94.44 -46.91 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 45.4 tptt -42.76 -52.91 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 55' ' ' LYS . 1.5 m-85 -118.81 88.03 34.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -2.99 11.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -57.61 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 6.9 p30 -124.84 25.98 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.7 p 39.25 30.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 84.35 -25.68 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.659 HD13 HD11 ' A' ' 10' ' ' LEU . 25.2 tp -39.07 -48.28 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.73 -54.92 30.17 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -53.26 -33.28 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -73.49 -50.29 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG23 ' HB1' ' A' ' 79' ' ' ALA . 47.4 mt -49.42 -49.99 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.42 -43.64 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.8 -32.31 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.58 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 81.9 m -76.82 -38.96 52.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.23 -53.83 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' HG2' HG23 ' A' ' 72' ' ' VAL . 4.6 pt-20 -49.41 -23.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.484 HG23 ' HG2' ' A' ' 71' ' ' GLU . 3.6 t -108.99 130.0 23.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.698 0.761 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -28.93 24.82 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.96 58.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.643 HD21 ' CD2' ' A' ' 21' ' ' TYR . 60.8 mt -106.46 -21.36 13.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -49.35 -50.71 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -55.78 -23.1 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -87.09 -42.62 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -49.96 -64.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -41.99 -48.11 4.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.488 ' N ' ' OE1' ' A' ' 80' ' ' GLU . 71.8 mt -53.14 -44.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.58 -16.84 62.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -83.29 -39.74 20.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -53.99 -55.01 31.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ARG . 17.3 pt-20 -66.83 -44.27 81.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' GLU . 62.7 ttt-85 -35.52 -59.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -92.97 140.69 29.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.62 83.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.8 t 46.83 42.77 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -43.68 146.39 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 118.23 5.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.739 2.293 . . . . 0.0 112.367 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -125.9 113.3 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -112.83 115.75 28.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.728 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -50.93 -19.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.22 -21.49 0.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.77 -59.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.4 -24.89 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.8 -51.54 69.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 pt -74.23 158.94 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 19' ' ' LYS . 5.7 m120 -80.39 143.57 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' ASN . 9.6 tmtm? -36.32 -38.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -49.16 -66.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.577 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.0 m-85 -58.94 -41.89 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -45.9 -50.97 13.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -44.2 -45.8 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.4 mp -60.01 -44.81 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -54.18 -45.05 72.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 35' ' ' LEU . 41.7 mtmt -62.46 -33.06 74.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -69.32 -42.8 74.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -67.8 -23.75 65.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.66 HD11 ' HE2' ' A' ' 64' ' ' LYS . 4.5 mm? -99.04 -16.51 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.45 -39.2 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.11 -48.91 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.41 -62.64 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.37 -16.39 64.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.0 t30 66.91 35.41 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 26' ' ' LYS . 79.8 mt -55.52 177.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 4.1 mm-40 -69.18 177.42 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.89 -34.09 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.24 -1.9 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 3.3 m120 -108.21 35.32 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -86.36 -10.58 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.7 -33.63 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.53 -12.48 32.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -80.16 170.05 16.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' ILE . 46.5 p -141.53 150.77 42.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.8 p -39.93 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.2 mm -69.54 -67.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -49.32 -36.48 21.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.2 mm -73.68 -37.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.728 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.12 -57.5 12.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -53.08 -41.26 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.0 mtm -57.37 -43.03 83.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtp -71.5 -39.47 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.07 -54.76 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.58 -53.07 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 28.5 tptt -52.06 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.28 82.5 1.22 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.92 27.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.299 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.29 11.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -120.69 -14.63 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 71.22 29.6 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.82 9.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.7 tp -41.26 -52.31 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -63.52 -60.58 7.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.521 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.66 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -45.75 -35.23 4.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -74.77 -56.7 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.45 HD12 ' HA2' ' A' ' 63' ' ' GLY . 31.4 mt -34.37 -48.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.18 -51.12 70.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -48.22 -26.88 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.3 m -84.34 -37.12 21.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.96 -47.08 81.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 72' ' ' VAL . 5.8 pt-20 -54.52 -40.18 68.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.6 t -86.62 132.67 41.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 -27.88 26.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.23 -6.2 59.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -115.35 -19.37 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -50.84 -36.36 37.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -61.67 -33.96 74.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -85.17 -41.13 15.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.92 -48.97 8.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -36.11 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.21 -37.05 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt -69.74 -50.58 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HE2' ' CG2' ' A' ' 66' ' ' ILE . 70.4 mttt -45.93 -54.56 8.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -39.9 -45.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.695 HD11 ' HB1' ' A' ' 49' ' ' ALA . 6.0 tt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -44.45 -22.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.61 12.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -71.24 -49.66 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.62 -28.83 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.62 -57.29 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 HD22 ' A' ' 75' ' ' LEU . 20.0 pt -66.87 151.87 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -69.74 154.94 41.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -51.09 -35.54 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -53.69 -55.79 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -67.68 -35.12 78.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 26.1 t80 -51.19 -40.81 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 t -54.38 -46.54 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -49.06 79.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CE1' HD21 ' A' ' 29' ' ' LEU . 11.6 t80 -50.79 -46.12 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.73 -25.8 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -74.45 -40.57 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.57 -25.54 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 64' ' ' LYS . 3.0 mm? -94.56 -20.18 19.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -40.92 -39.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -71.1 -48.99 49.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.28 -62.98 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD21 ' HG2' ' A' ' 52' ' ' MET . 58.8 mt -68.5 -5.14 17.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 52.98 48.54 22.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 30' ' ' ALA . 8.6 mt -73.94 170.86 14.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' ASN . 13.8 mt-10 -95.52 99.37 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' HD2' ' NE2' ' A' ' 40' ' ' GLN . 38.2 mmm-85 -40.76 -25.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' GLU . 68.2 m-20 -92.57 -34.11 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.548 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.1 t-20 -111.46 44.82 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' NE2' ' HD2' ' A' ' 37' ' ' ARG . 29.3 mt-30 -87.03 -22.04 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.76 -48.56 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.548 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 5.8 pt20 -46.45 -29.22 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 24.7 m-85 -74.65 150.29 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -130.94 165.84 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 76.3 p -44.7 -25.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mm -74.04 -69.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -45.9 -55.03 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 33' ' ' LEU . 26.3 mm -55.37 -42.71 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.695 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -57.21 -30.44 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -73.66 -59.05 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.599 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -44.55 -45.8 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.752 ' HG2' HD21 ' A' ' 33' ' ' LEU . 42.0 mtp -66.03 -53.15 42.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -42.19 -28.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -93.2 -51.49 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -48.12 -61.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.22 83.61 1.47 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.59 5.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.62 -54.64 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -19.69 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 62.34 29.45 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.6 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 tp -58.58 -70.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -51.33 -40.22 45.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HG2' HD11 ' A' ' 29' ' ' LEU . 14.0 tptt -59.63 -42.47 92.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.564 HD12 HD13 ' A' ' 82' ' ' LEU . 3.5 tm? -66.18 -49.32 67.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.537 HD12 ' HA2' ' A' ' 63' ' ' GLY . 18.6 mt -43.61 -50.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.0 -54.39 43.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -43.81 -37.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.616 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 59.4 m -77.96 -37.85 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.61 -50.39 60.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.52 -45.67 77.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 74' ' ' ALA . 16.1 t -83.2 121.93 77.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -4.46 14.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.662 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -99.32 -21.72 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 17' ' ' ILE . 34.7 mt -102.52 -16.27 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -48.01 -34.68 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 80' ' ' GLU . 19.7 ttpt -51.98 -52.48 50.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.5 mmt-85 -67.59 -40.66 84.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -47.73 -54.63 11.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 5.8 pt-20 -57.99 -24.35 57.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.77 -40.75 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.564 HD13 HD12 ' A' ' 65' ' ' LEU . 19.5 mt -64.09 -28.11 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 66' ' ' ILE . 62.3 mttt -73.42 -54.12 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -39.54 -50.89 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.976 HD11 ' HB1' ' A' ' 49' ' ' ALA . 5.6 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -52.62 -28.86 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.52 -35.08 2.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -68.23 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.73 0.3 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.88 -30.45 58.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 t -49.36 -57.51 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.58 HG22 HD22 ' A' ' 75' ' ' LEU . 17.6 pt -65.06 136.65 26.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 9.5 m120 -60.88 145.53 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.9 tptt -38.08 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -47.13 -50.9 19.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.516 ' HA ' HD13 ' A' ' 24' ' ' LEU . 19.5 m-85 -73.11 -51.0 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 36.7 t80 -40.23 -47.97 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -47.5 -42.5 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.9 mp -63.34 -56.46 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.445 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.8 t80 -39.82 -48.95 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.5 mtmt -55.1 -44.32 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -65.04 -32.15 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 25' ' ' PHE . 14.4 mt -79.3 -26.07 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.654 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.2 mm? -98.4 -16.89 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.63 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . . . -38.25 -50.52 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -60.86 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -63.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD1' HG23 ' A' ' 48' ' ' ILE . 49.9 mt -61.39 -20.54 63.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.1 m-80 72.22 38.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 30' ' ' ALA . 7.3 mt -74.72 165.22 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' ASP . 2.1 mp0 -90.4 98.61 11.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 2.4 ppt_? -39.48 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.9 p30 -93.58 -36.98 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -107.95 46.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.63 ' NE2' ' HB2' ' A' ' 30' ' ' ALA . 37.5 mt-30 -86.81 -20.94 26.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.0 pp20? -66.81 -51.03 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 39' ' ' ASN . 5.6 pt20 -45.55 -28.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 22.5 m-85 -75.99 142.79 41.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -122.93 167.63 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 7.9 p -51.14 -26.38 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' ALA . 22.9 mm -77.98 -69.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -43.78 -37.16 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.422 HG23 ' CD1' ' A' ' 33' ' ' LEU . 17.1 mm -73.76 -31.4 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.976 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -61.36 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -46.36 -55.2 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 mtm -44.85 -50.02 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.2 mtp -62.81 -52.25 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.42 -33.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -93.03 -31.86 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.3 tptp -63.81 -56.08 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -116.51 83.68 13.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.26 5.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.5 -52.69 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -122.85 6.25 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.96 26.16 3.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.11 -20.26 50.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.0 tp -39.01 -37.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.0 -58.96 3.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.654 ' HG2' HD11 ' A' ' 29' ' ' LEU . 6.6 tptm -46.05 -36.68 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -67.33 -51.49 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.431 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 51.9 mt -41.4 -58.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.6 -57.27 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -39.86 -47.09 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.634 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 74.8 m -67.78 -52.76 33.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.07 -57.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -47.36 -48.9 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 21' ' ' TYR . 2.9 t -84.49 128.17 62.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -22.46 32.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -83.35 -6.64 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.58 HD22 HG22 ' A' ' 17' ' ' ILE . 58.6 mt -120.11 -20.34 7.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -44.15 -27.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -42.87 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -73.72 -34.66 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -55.09 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.28 -55.06 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.2 mt -46.79 -42.41 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 66' ' ' ILE . 66.4 mttt -43.06 -36.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -59.51 -44.72 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.022 HD11 ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.756 0.313 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.0 ttm180 -35.0 -34.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -40.03 -47.36 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.11 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -47.72 -39.5 17.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 t -40.02 -57.27 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.454 HD13 ' HE2' ' A' ' 68' ' ' PHE . 6.0 pt -75.42 133.52 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.15 155.79 13.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -45.36 -44.8 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -40.93 -63.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CE2' HD21 ' A' ' 75' ' ' LEU . 28.7 m-85 -64.81 -44.43 89.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 25.0 t80 -42.6 -44.88 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -48.44 -41.86 30.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.32 -35.88 78.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 33.0 t80 -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 36.0 mtmt -57.73 -36.82 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 t -62.83 -44.58 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.08 -30.04 70.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.2 mm? -88.86 -25.11 22.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.38 -52.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.32 -54.31 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 51' ' ' MET . 69.1 mt -72.97 2.68 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 99.1 m-20 46.79 41.6 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 26' ' ' LYS . 68.5 mt -57.92 176.85 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 5.9 mm-40 -70.21 164.38 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -31.89 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.37 -29.85 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.461 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 9.3 m120 -80.77 44.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -86.96 -39.22 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.26 -43.85 80.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 39' ' ' ASN . 4.6 pt20 -45.57 -26.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -73.08 163.93 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.8 p -136.73 158.49 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 71.7 p -43.51 -35.79 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.95 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.76 -44.49 48.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.91 -39.74 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.022 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -58.08 -67.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ALA . 36.3 m-80 -36.38 -48.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.636 ' HB3' HD22 ' A' ' 33' ' ' LEU . 29.4 mtm -58.27 -44.27 88.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ALA . 38.1 mtp -67.72 -39.82 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -41.47 51.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.41 -44.32 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tptp -58.15 -61.35 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.8 m-85 -108.99 83.05 2.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.13 -58.68 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -118.83 -6.98 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m 68.79 25.01 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.441 ' HA2' ' HE2' ' A' ' 52' ' ' MET . . . 108.11 -37.3 3.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.423 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 tp -39.1 -54.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.71 -67.24 2.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.48 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -42.76 -35.48 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.3 tm? -72.43 -51.89 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.2 mt -41.46 -53.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -57.98 -48.72 79.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.454 ' HE2' HD13 ' A' ' 17' ' ' ILE . 22.0 t80 -47.97 -28.79 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.7 m -78.99 -38.63 36.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLU . 14.8 mm-40 -49.18 -61.31 2.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' GLU . 13.8 pt-20 -37.67 -38.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 74' ' ' ALA . 3.4 t -89.77 129.5 46.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.733 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.91 27.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.37 -23.25 37.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.474 HD21 ' CE2' ' A' ' 21' ' ' TYR . 73.1 mt -94.86 -29.32 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LEU . 49.2 mtp180 -34.53 -60.68 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -45.2 -44.07 10.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.751 ' HA ' HD12 ' A' ' 81' ' ' ILE . 18.2 tpp180 -65.62 -41.8 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.44 -63.84 1.02 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.1 pt-20 -45.77 -37.41 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 78' ' ' ARG . 57.7 mt -64.16 -43.31 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.05 -50.73 70.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -50.45 -44.9 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -39.01 -47.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.85 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.7 ttt180 -43.93 -27.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' ARG . . . -36.85 -28.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' ARG . 29.7 mt -83.28 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.31 -24.79 60.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -54.98 -59.6 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.403 HG22 HD22 ' A' ' 75' ' ' LEU . 12.3 pt -66.83 161.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.6 t-20 -86.8 143.13 27.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' ASN . 26.0 mmtt -34.54 -42.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' HA ' HD13 ' A' ' 24' ' ' LEU . 24.2 m-85 -72.7 -42.87 63.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 21.1 t80 -44.23 -49.93 9.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -43.92 -51.71 7.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 24' ' ' LEU . 6.0 mp -55.35 -49.6 71.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.11 -43.68 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 35' ' ' LEU . 45.1 mtmt -63.14 -46.88 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -55.07 -37.92 67.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.99 -48.8 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.738 HD21 ' HG2' ' A' ' 64' ' ' LYS . 3.8 mm? -75.26 -13.96 60.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -43.74 -47.22 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -56.28 -60.96 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.2 -63.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 51' ' ' MET . 95.0 mt -60.67 -16.74 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 30' ' ' ALA . 45.1 t30 63.0 36.08 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 26' ' ' LYS . 23.2 mt -58.29 -178.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASP . 7.5 mt-10 -119.32 110.46 17.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 38' ' ' ASP . 3.8 ptp180 -36.32 -32.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -86.93 -50.99 6.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.684 ' ND2' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -75.74 4.61 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' GLU . 28.2 mt-30 -80.84 -11.74 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.98 -14.1 26.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.572 ' CG ' ' ND2' ' A' ' 39' ' ' ASN . 9.5 pt20 -100.49 -44.2 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.684 ' CE1' ' ND2' ' A' ' 39' ' ' ASN . 17.8 m-85 -42.49 129.25 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.6 p -97.52 160.72 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 p -47.79 -22.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.62 -62.16 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -48.3 -50.81 28.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mm -58.24 -36.7 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.85 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.5 -37.31 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.88 -53.03 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.735 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.1 mpp? -52.11 -62.72 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.574 ' HG2' HD21 ' A' ' 33' ' ' LEU . 68.4 mtp -52.81 -41.89 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.43 -37.56 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -84.23 -43.48 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' HD23 ' A' ' 33' ' ' LEU . 14.9 mmmt -54.88 -60.75 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -112.23 83.5 5.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.68 5.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.6 -54.98 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -11.91 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 61.92 31.84 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.95 -12.19 58.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 tp -40.49 -49.05 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.06 -60.29 8.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HG2' HD21 ' A' ' 29' ' ' LEU . 9.1 tppt? -44.83 -36.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.8 tm? -71.68 -53.38 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.5 mt -45.79 -58.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -51.15 -44.49 61.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.71 -27.86 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' ARG . 93.8 m -83.69 -19.51 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -79.2 -37.12 39.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -63.44 -12.59 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 73' ' ' PRO . 2.0 t -113.25 135.84 21.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.445 ' HD2' ' CG1' ' A' ' 72' ' ' VAL . 53.0 Cg_endo -69.79 -13.35 34.48 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.17 -27.25 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' CYS . 28.9 mt -91.23 -23.66 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 69' ' ' CYS . 8.4 mtt-85 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -63.65 -51.32 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.99 -38.39 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.19 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -48.22 -32.75 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.69 -45.15 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.92 -36.2 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -68.45 -32.69 72.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -57.17 -34.82 68.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.811 0.338 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 14' ' ' LEU . 24.7 ttt180 -47.14 -21.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.88 -24.21 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' ARG . 9.0 mt -91.82 -63.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HA ' HG21 ' A' ' 45' ' ' THR . 7.5 tm-20 -49.96 -19.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.65 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.68 134.08 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.46 154.97 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -51.82 -18.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -66.68 -51.46 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.576 ' HA ' HD13 ' A' ' 24' ' ' LEU . 10.5 m-85 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 15.4 t80 -52.13 -45.42 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -50.16 -36.05 28.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.8 mp -70.46 -42.56 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 32.3 t80 -56.77 -44.45 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 38.0 mtmt -62.13 -31.04 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 t -67.99 -34.3 76.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.31 -27.02 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -92.58 -22.28 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.1 -47.12 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.478 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.13 -50.03 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.75 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 94.7 mt -73.17 1.62 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 2.7 p-10 47.21 39.94 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 26' ' ' LYS . 32.1 mt -56.7 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 177.45 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -88.46 -52.39 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -122.26 -3.57 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 42' ' ' GLN . 25.1 t30 -103.24 34.28 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.42 -10.86 55.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -80.76 -48.8 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.546 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 6.2 pt20 -45.17 -27.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.23 160.44 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -132.6 162.57 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 25.1 p -50.5 -22.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -75.62 -68.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.92 -40.95 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.07 -42.56 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 11' ' ' LEU . . . -52.77 -57.39 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -54.05 -43.12 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.419 ' HB3' HD22 ' A' ' 33' ' ' LEU . 12.8 mtm -55.54 -36.31 66.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.9 mtp -79.08 -45.26 20.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -43.24 -49.92 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 55' ' ' LYS . 2.6 pp20? -76.3 -52.91 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 tppt? -52.12 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.42 82.45 1.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -0.03 6.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 0.0 112.409 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.89 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.59 -4.22 9.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m 57.74 31.71 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.73 -27.43 18.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.86 -45.18 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.03 -62.21 3.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' HD21 ' A' ' 29' ' ' LEU . 28.6 tptt -45.43 -35.35 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.6 tm? -72.8 -58.57 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 65' ' ' LEU . 19.2 mt -34.89 -49.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.33 -46.36 83.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 62.5 t80 -53.58 -30.63 43.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.5 m -76.26 -26.59 56.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' VAL . 50.3 mt-10 -64.34 -62.16 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CG ' HG23 ' A' ' 72' ' ' VAL . 8.0 pt-20 -39.1 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 74' ' ' ALA . 18.5 t -107.46 123.3 38.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.17 35.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.528 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.57 -20.15 40.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.4 -17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -51.62 -25.6 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.65 -35.35 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -81.13 -45.49 16.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.61 -44.39 8.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.16 -33.7 76.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.79 -40.83 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.82 -55.86 9.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -49.15 -48.42 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.801 0.334 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -47.42 -20.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.93 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.0 mt -84.72 -56.86 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.65 -31.82 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 m -50.94 -50.46 57.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.504 HG22 HD22 ' A' ' 75' ' ' LEU . 17.7 pt -71.75 130.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' LYS . 19.1 m120 -53.89 136.86 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -34.96 -37.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -45.52 -59.32 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.69 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 5.1 m-85 -67.97 -48.49 65.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 34.4 t80 -43.08 -42.75 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -53.01 -38.76 62.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.8 mp -66.72 -45.72 77.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE1' HD21 ' A' ' 29' ' ' LEU . 11.7 t80 -53.65 -44.33 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.0 mtmt -60.66 -35.78 77.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.25 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -74.42 -30.21 61.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 25' ' ' PHE . 3.3 mm? -91.32 -22.21 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.03 -49.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.18 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.55 -61.58 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 51' ' ' MET . 49.6 mt -65.85 -10.62 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 4.8 m120 55.72 37.53 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 160.01 21.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ASP . 13.4 mt-10 -80.52 100.42 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HA ' ' CD ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -42.02 -23.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -96.9 -38.14 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.552 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.2 t-20 -106.61 48.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CD ' ' HA ' ' A' ' 37' ' ' ARG . 28.7 mt-30 -86.67 -25.12 24.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.66 -47.78 44.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.552 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 4.2 pt20 -45.07 -24.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.19 152.64 32.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -128.86 157.52 41.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 p -41.57 -28.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.8 mm -71.27 -69.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -46.08 -45.29 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.76 -38.33 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -47.91 -40.69 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.627 ' HB3' HD22 ' A' ' 33' ' ' LEU . 13.6 mtm -61.93 -37.13 83.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -76.49 -31.22 57.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.16 -39.51 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.597 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -62.26 -53.27 57.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -118.98 84.05 25.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.01 -54.91 12.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.13 -14.86 9.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m 67.38 31.75 6.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.54 -34.71 5.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 tp -39.57 -46.89 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.16 -69.1 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG2' HD11 ' A' ' 29' ' ' LEU . 12.0 tptp -39.38 -34.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' ILE . 2.9 tm? -74.07 -60.3 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' LEU . 56.2 mt -34.96 -55.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -51.58 -53.03 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -47.36 -32.3 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.758 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 58.7 m -74.79 -31.92 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.35 -54.84 42.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -50.29 -39.1 44.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.69 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 3.2 t -87.23 122.22 71.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.57 16.48 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.749 2.299 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.519 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -102.74 -15.18 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD22 HG22 ' A' ' 17' ' ' ILE . 67.2 mt -105.12 -19.76 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -46.58 -39.62 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -52.01 -48.96 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.17 -38.73 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -48.01 -64.82 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.63 -45.17 48.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.24 -41.11 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.72 -42.4 97.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.75 -48.98 79.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -39.65 -50.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 49' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.8 mmm180 -45.14 -21.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 11' ' ' LEU . . . -42.23 -24.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 15.2 mt -92.43 -51.03 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.87 -13.83 60.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -66.81 -42.39 85.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.2 pt -86.78 131.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.31 156.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -51.07 -22.64 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -59.78 -57.35 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.522 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.6 m-85 -71.3 -45.24 63.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 11.1 t80 -42.4 -44.53 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -52.27 -55.83 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.554 ' H ' HD12 ' A' ' 24' ' ' LEU . 7.1 mp -48.25 -49.93 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.44 -47.97 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -56.08 -28.89 59.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -73.46 -43.76 59.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.2 mt -67.61 -28.25 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.4 mm? -94.11 -17.46 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.2 -38.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.6 -48.78 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.34 -62.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.0 -11.71 41.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 60.5 37.57 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.91 166.07 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ASP . 10.0 mt-10 -91.98 98.71 11.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mmm180 -38.38 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' GLU . 5.3 m-20 -91.84 -40.71 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.544 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 11.9 t-20 -102.98 46.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 37.3 mt-30 -87.01 -21.43 26.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 15.0 pt-20 -76.03 -48.17 22.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.544 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 6.0 pt20 -45.43 -29.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 33.6 m-85 -72.84 158.95 34.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' ILE . 67.1 p -138.14 156.89 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.2 p -41.52 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.9 mm -76.55 -69.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -47.44 -39.7 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mm -70.33 -36.5 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -57.55 -65.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -45.67 -61.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.7 mtm -43.47 -35.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -78.3 -46.19 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -42.73 -42.88 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LYS . 13.9 mt-10 -84.77 -54.17 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' GLU . 43.9 tptt -37.01 -52.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -114.18 87.73 13.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 2.19 3.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.299 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.72 -56.99 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.52 17.35 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p 46.14 27.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 -28.58 10.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.4 tp -40.95 -53.12 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.12 52.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.507 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' HD21 ' A' ' 29' ' ' LEU . 7.5 tppt? -56.86 -40.7 76.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.2 tm? -68.62 -50.67 49.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mt -42.13 -57.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -50.93 -45.99 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.55 -28.17 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 79' ' ' ALA . 5.1 m -83.26 -16.24 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.41 -43.99 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.41 -14.24 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.654 HG12 ' H ' ' A' ' 74' ' ' ALA . 15.4 t -110.36 120.41 44.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.9 -6.42 18.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.654 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -102.0 -7.54 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.1 mt -117.89 -13.56 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -54.23 -23.0 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -66.21 -42.91 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -78.97 -37.52 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . . . -45.1 -60.64 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -52.5 -41.89 63.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.87 -38.27 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.403 HD23 ' OE2' ' A' ' 85' ' ' GLU . 49.9 mt -70.46 -31.86 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.28 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -66.01 -54.6 23.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.999 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' OE2' HD23 ' A' ' 82' ' ' LEU . 11.9 pt-20 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.525 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.1 ttt85 -46.7 -25.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.47 -25.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ARG . 23.9 mt -89.22 -61.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -48.07 -41.8 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.8 t -45.54 -56.21 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 21.0 pt -71.17 143.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -73.18 153.59 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -41.34 -33.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -49.11 -61.1 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' HA ' HD13 ' A' ' 24' ' ' LEU . 17.9 m-85 -69.84 -45.36 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 27.9 t80 -45.9 -42.09 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -55.9 -37.19 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.0 mp -67.67 -46.73 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.0 t80 -53.18 -45.52 68.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ALA . 31.3 mtmt -57.4 -35.38 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.7 t -70.06 -35.35 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 25' ' ' PHE . 8.3 mt -74.45 -25.45 59.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -99.82 -21.95 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.95 -51.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.22 -51.44 68.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -61.48 -62.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.544 HD21 ' HG2' ' A' ' 52' ' ' MET . 21.9 mt -74.17 3.93 6.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.413 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 25.9 t30 43.59 44.71 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.76 173.88 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 40' ' ' GLN . 4.5 mm-40 -111.8 108.26 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' GLU . 85.7 mtt180 -35.92 -41.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -42.92 69.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 23.2 t-20 -91.32 6.87 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 26.1 mt-30 -74.57 -15.56 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' GLN . 7.8 pt-20 -94.58 -55.36 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.508 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 6.4 pt20 -54.31 -40.15 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 1.6 m-85 -38.8 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.7 p -120.58 152.11 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.4 p -45.31 -29.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.98 -65.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -41.13 -53.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.66 -39.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.66 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' MET . 61.1 m-80 -43.97 -67.36 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' ASN . 14.2 mtm -36.9 -41.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.544 ' HG2' HD21 ' A' ' 33' ' ' LEU . 72.9 mtp -72.54 -57.78 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -38.4 -35.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.84 -45.77 10.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 38.7 tptt -52.57 -42.4 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -127.75 84.26 63.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -0.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.81 -51.46 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.27 -12.65 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.7 p 47.63 29.13 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.77 -23.8 21.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.4 tp -45.1 -65.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -54.06 -60.74 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG2' HD11 ' A' ' 29' ' ' LEU . 1.8 tppt? -44.65 -40.88 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.788 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tm? -72.15 -41.31 67.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.538 HD12 ' HA2' ' A' ' 63' ' ' GLY . 56.7 mt -49.48 -55.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.196 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.72 -44.53 69.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -52.08 -34.59 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.8 m -76.81 -41.63 43.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.77 -60.19 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 72' ' ' VAL . 4.3 pt-20 -39.86 -41.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 75' ' ' LEU . 2.4 t -88.72 130.09 46.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -21.66 33.38 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.709 2.272 . . . . 0.0 112.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -5.92 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.5 HD12 HG21 ' A' ' 72' ' ' VAL . 90.7 mt -114.72 -17.01 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -51.5 -25.8 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -62.6 -37.0 84.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -78.16 -49.0 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.09 -65.74 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 20.0 pt-20 -44.27 -51.85 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 80' ' ' GLU . 74.8 mt -55.27 -49.88 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.82 -60.39 3.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -46.2 -43.28 15.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 14.5 tmtt? -47.8 -48.64 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.786 0.326 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -55.57 -16.04 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.4 -29.12 30.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.47 -50.6 9.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.1 -35.69 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 m -46.43 -57.72 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 pt -67.17 144.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' HIS . 50.6 m-80 -71.24 143.23 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' ASN . 44.4 mmtm -36.56 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' ASN . 41.8 t60 -55.19 -57.58 11.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.437 ' HA ' HD13 ' A' ' 24' ' ' LEU . 14.6 m-85 -67.95 -43.01 80.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 21.9 t80 -45.93 -39.63 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -57.27 -39.97 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.0 mp -66.55 -43.52 84.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.82 -44.27 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 28.2 mtmt -61.43 -21.79 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.5 t -72.5 -45.7 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.29 -28.48 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.645 HD11 ' HE2' ' A' ' 64' ' ' LYS . 2.9 mm? -89.6 -27.6 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -36.83 -46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.6 -53.0 61.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -65.39 -63.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 51' ' ' MET . 22.1 mt -61.2 -22.34 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 74.81 27.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.16 177.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mm-40 -63.08 148.81 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' NE ' ' HB3' ' A' ' 38' ' ' ASP . 3.0 ppt_? -64.91 -37.39 87.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.476 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 4.8 t70 -134.02 -34.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -76.44 49.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 9.0 mt-30 -86.44 -35.86 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -44.36 -39.41 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 8.1 pt20 -50.09 -41.11 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -62.06 140.91 58.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.6 p -104.82 -174.78 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 p -74.17 -28.17 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.8 mt -74.58 -70.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 46' ' ' ILE . 67.8 mt-30 -33.6 -57.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.9 mm -55.15 -43.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.45 -47.02 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' GLU . 37.4 m-80 -62.94 -64.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.407 ' HB3' HD22 ' A' ' 33' ' ' LEU . 22.4 mtm -39.58 -39.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.453 ' HE2' ' HA2' ' A' ' 61' ' ' GLY . 32.2 mtp -74.41 -35.45 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASN . 6.5 mt-10 -58.45 -36.87 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 50' ' ' ASN . 1.7 pm0 -92.31 -33.7 14.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 17.6 tptm -66.88 -59.96 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -113.67 84.06 7.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.66 10.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.73 -57.99 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.6 -1.76 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.6 m 54.49 30.81 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.453 ' HA2' ' HE2' ' A' ' 52' ' ' MET . . . 100.99 -27.43 20.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 tp -38.96 -63.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.34 5.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.562 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.645 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.44 -38.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.2 tm? -68.98 -53.8 18.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.496 HD13 ' HG2' ' A' ' 83' ' ' LYS . 51.3 mt -42.12 -54.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.28 -56.31 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -40.41 -45.25 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.711 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 90.6 m -61.95 -53.45 55.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' CYS . 17.6 mt-10 -37.01 -58.43 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -45.66 -47.69 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.651 HG12 ' H ' ' A' ' 74' ' ' ALA . 13.2 t -84.69 120.34 73.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.37 6.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.651 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -105.62 -7.75 18.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.4 mt -116.07 -17.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -42.68 -43.69 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -54.66 -40.04 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.15 -40.66 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -51.88 -66.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.468 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.9 pt-20 -45.96 -52.07 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.5 mt -49.21 -36.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.02 -24.65 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HG2' HD13 ' A' ' 66' ' ' ILE . 30.3 mtmt -80.7 -41.36 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -46.33 -37.73 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.992 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.796 0.331 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . 28.3 ttt-85 -35.15 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -36.06 -31.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ARG . 38.4 mt -84.94 -57.04 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -49.21 -44.48 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.9 t -39.14 -61.78 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.485 HG22 HD22 ' A' ' 75' ' ' LEU . 30.9 pt -65.63 146.83 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 19' ' ' LYS . 3.1 m120 -79.45 150.34 31.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 2.1 mptm? -35.71 -46.09 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -40.36 -61.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.618 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 22.0 m-85 -69.51 -44.15 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 19.7 t80 -42.33 -44.28 3.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -53.54 -42.24 67.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.85 -43.69 82.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 35.8 t80 -55.01 -47.05 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.975 0.417 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 38.9 mtmt -59.72 -34.53 73.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -39.83 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.69 -34.62 74.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.529 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.5 mm? -86.47 -25.57 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.8 -49.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.83 -51.39 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 53.8 m-20 -63.69 -61.38 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.795 HD22 ' HB3' ' A' ' 51' ' ' MET . 26.0 mt -73.91 4.03 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 m120 42.63 47.4 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.09 -176.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 39' ' ' ASN . 4.5 mt-10 -82.93 -173.89 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.76 8.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -26.77 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.596 ' OD1' ' CE2' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -77.1 -5.87 50.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 19.6 mt-30 -61.99 -9.7 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -88.01 -61.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.531 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 7.2 pt20 -44.76 -47.68 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.596 ' CE2' ' OD1' ' A' ' 39' ' ' ASN . 2.3 m-85 -35.23 152.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -125.62 159.27 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.6 p -42.3 -26.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' A' ' 46' ' ' ILE . 18.5 mm -74.86 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -46.76 -43.63 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.91 -32.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.992 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.14 -67.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -38.47 -65.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.795 ' HB3' HD22 ' A' ' 33' ' ' LEU . 13.6 mtm -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.3 mtp -70.08 -43.09 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -51.62 -41.77 61.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -79.49 -38.92 33.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.768 ' HG3' HD23 ' A' ' 33' ' ' LEU . 16.5 mmtm -58.71 -52.05 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.34 84.46 56.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 0.23 5.96 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.67 2.246 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.54 -54.75 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -108.59 -11.04 15.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 p 59.05 29.52 19.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.93 -7.05 81.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.96 -51.2 54.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.57 -49.45 64.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HG2' HD21 ' A' ' 29' ' ' LEU . 1.5 tptm -49.42 -43.28 44.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 1.9 tm? -66.2 -59.82 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' LEU . 49.5 mt -34.39 -59.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -48.96 -57.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -41.04 -40.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 58.5 m -68.35 -51.22 46.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HA ' ' CG ' ' A' ' 76' ' ' ARG . 19.2 mm-40 -42.75 -50.41 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -51.39 -45.77 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.704 HG12 ' H ' ' A' ' 74' ' ' ALA . 20.4 t -86.99 123.76 69.81 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.642 0.734 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.704 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -108.48 0.54 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 HG22 ' A' ' 17' ' ' ILE . 93.4 mt -124.18 -17.1 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 6.1 mtt-85 -50.93 -32.7 21.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -53.2 -42.96 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -77.62 -42.14 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -42.32 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.434 ' C ' ' OE1' ' A' ' 80' ' ' GLU . 0.9 OUTLIER -49.68 -43.76 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.84 -46.38 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.34 -45.83 92.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -55.66 -30.45 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -64.09 -36.07 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.082 HD11 ' HB1' ' A' ' 49' ' ' ALA . 7.0 tt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -38.94 -28.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -41.65 -35.51 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.99 -65.03 0.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -49.78 -20.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.57 -53.3 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.426 HD12 ' CA ' ' A' ' 22' ' ' PHE . 7.5 pt -72.72 140.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.188 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -67.88 160.56 28.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -48.47 -22.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -60.21 -62.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.421 ' HA ' HD13 ' A' ' 24' ' ' LEU . 9.7 m-85 -71.33 -39.67 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CA ' HD12 ' A' ' 17' ' ' ILE . 25.3 t80 -48.93 -45.74 42.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -48.12 -44.26 31.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.1 mp -60.52 -58.94 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 28' ' ' LEU . 13.8 t80 -40.99 -49.17 3.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 35' ' ' LEU . 40.1 mtmt -54.36 -40.01 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -68.52 -37.7 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' PHE . 15.3 mt -71.41 -26.41 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' HG2' ' A' ' 64' ' ' LYS . 3.9 mm? -96.89 -14.84 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . . . -42.2 -38.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -70.9 -51.39 26.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.01 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 52' ' ' MET . 69.1 mt -63.53 -20.52 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.7 t30 69.78 37.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 43' ' ' TYR . 21.1 mt -68.02 170.94 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' ASP . 14.3 mt-10 -88.91 98.36 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 73.7 mtm180 -33.09 -34.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -94.18 -55.16 3.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 2.4 t-20 -83.32 45.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.566 ' NE2' ' HB2' ' A' ' 30' ' ' ALA . 16.5 mt-30 -87.32 -10.11 53.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.2 pp20? -80.2 -47.15 15.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 8.5 pt20 -44.83 -30.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 35' ' ' LEU . 23.6 m-85 -74.5 150.56 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.969 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -129.96 168.39 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -50.88 -26.66 6.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.32 -68.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -45.93 -46.19 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.983 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.84 -37.94 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.082 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -58.54 -62.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -46.42 -57.62 4.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.425 ' HB3' HD22 ' A' ' 33' ' ' LEU . 14.0 mtm -43.69 -45.67 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.499 ' HG2' HD21 ' A' ' 33' ' ' LEU . 55.3 mtp -67.33 -52.17 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -43.1 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -96.15 -40.93 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.0 tptp -56.98 -58.83 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -109.65 84.63 3.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 110.816 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -1.02 7.77 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.02 -55.76 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -117.5 -9.81 10.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.6 m 62.93 30.4 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.78 -18.55 49.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.25 -46.85 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.94 -59.63 4.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.484 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' LEU . 10.9 tptp -42.32 -36.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 82' ' ' LEU . 3.5 tm? -70.83 -56.17 6.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.467 HD13 ' HG2' ' A' ' 83' ' ' LYS . 36.2 mt -40.81 -55.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -51.2 -50.86 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -51.84 -32.37 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.421 ' CB ' ' HB3' ' A' ' 75' ' ' LEU . 64.6 m -81.87 -29.87 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.21 -47.32 77.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 72' ' ' VAL . 7.9 pt-20 -54.11 -29.98 46.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.2 t -97.7 130.01 30.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -14.17 35.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.17 -16.58 22.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 69' ' ' CYS . 86.1 mt -104.32 -25.69 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -41.34 -33.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -61.7 -42.98 99.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 81' ' ' ILE . 33.6 mmt180 -73.43 -43.09 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 66' ' ' ILE . . . -43.72 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.7 pt-20 -47.48 -48.27 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 78' ' ' ARG . 91.8 mt -53.53 -36.94 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 65' ' ' LEU . 37.4 mt -74.02 -21.82 59.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 80' ' ' GLU . 35.8 mtmt -77.8 -42.54 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -43.28 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.067 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.775 0.321 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -43.18 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -43.92 -29.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.51 -36.54 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.718 0.294 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.18 -21.25 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' HG23 ' A' ' 17' ' ' ILE . 2.1 p -60.3 -21.5 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.515 HG23 ' SG ' ' A' ' 16' ' ' CYS . 15.6 pt -119.84 158.98 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.1 t-20 -104.63 166.5 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 2.6 tmtm? -36.04 -41.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -45.2 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' CD2' HD21 ' A' ' 75' ' ' LEU . 9.4 m-85 -63.11 -37.01 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 6.1 t80 -50.35 -43.07 54.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -52.92 -34.9 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.3 mp -73.89 -41.34 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 17.1 t80 -62.51 -44.69 95.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 47.6 mtmt -61.62 -29.4 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.5 t -66.44 -44.74 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.3 mm? -90.02 -21.25 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -36.65 -50.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.2 -56.42 22.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 51' ' ' MET . 78.2 mt -68.99 -3.36 12.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.6 t-20 51.35 41.22 27.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 26' ' ' LYS . 44.8 mt -63.92 163.52 11.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 1.3 mp0 -92.1 98.13 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -35.01 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -89.18 -42.73 11.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.9 m120 -97.48 40.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.25 -26.85 23.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 49.7 mt-10 -75.16 -43.01 54.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -50.48 -20.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -77.84 167.44 21.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -145.21 163.03 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.7 p -45.06 -27.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.74 -69.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.17 -44.61 10.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mm -65.69 -41.27 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.067 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -52.81 -61.48 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -48.62 -54.37 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.694 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.5 mtm -44.08 -42.15 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.8 mtp -74.1 -50.9 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -38.6 -43.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.92 -53.81 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 15.4 tptp -53.78 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -107.38 82.58 1.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.697 0.761 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 54.5 Cg_endo -69.77 -7.78 21.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.63 2.22 . . . . 0.0 112.4 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -58.99 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -124.55 1.13 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m 57.53 26.63 12.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.18 -32.63 7.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 tp -41.0 -44.94 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.11 -67.63 1.83 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' HD11 ' A' ' 29' ' ' LEU . 15.4 tptp -38.81 -32.95 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.472 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.9 tm? -73.42 -57.98 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LEU . 54.5 mt -33.93 -52.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -53.66 -52.47 59.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -45.36 -40.69 8.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 80.0 m -65.06 -41.75 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -44.92 -50.52 10.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -53.78 -46.73 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 74' ' ' ALA . 15.9 t -83.41 121.93 76.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -23.84 30.06 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.701 2.268 . . . . 0.0 112.3 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.79 -21.61 37.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 21' ' ' TYR . 52.7 mt -95.61 -29.78 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' LEU . 39.9 mtp180 -38.32 -35.68 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -51.23 -48.98 61.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 81' ' ' ILE . 23.4 mmt180 -72.09 -41.26 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -43.51 -66.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 14.3 pt-20 -48.86 -41.14 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 78' ' ' ARG . 69.7 mt -61.14 -42.46 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.73 -44.76 96.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.68 -46.24 84.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -44.77 -52.85 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.88 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.755 0.312 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' LEU . 7.6 ptt85 -42.11 -25.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -38.51 -27.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' ARG . 79.0 mt -84.61 -58.42 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -48.27 -30.6 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.06 -59.7 4.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -67.38 152.14 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 36.7 p30 -85.63 148.81 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 40.6 mmtt -35.52 -34.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.1 t60 -51.46 -57.02 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.553 ' HA ' HD13 ' A' ' 24' ' ' LEU . 17.3 m-85 -73.44 -48.94 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -41.63 -47.11 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -48.64 -41.83 32.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.9 mp -63.35 -55.93 20.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.705 ' HA ' HD12 ' A' ' 28' ' ' LEU . 6.1 t80 -43.53 -47.13 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -56.74 -46.94 81.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -56.01 -30.56 62.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 25' ' ' PHE . 8.0 mt -80.76 -53.11 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -67.94 -19.25 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -35.57 -53.13 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -53.69 -61.43 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.29 -63.3 1.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 29' ' ' LEU . 95.2 mt -59.62 -15.62 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 30' ' ' ALA . 64.6 t30 64.88 37.22 7.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 30' ' ' ALA . 11.6 mt -67.15 159.45 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ASP . 4.0 mm-40 -86.93 110.61 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -34.26 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' GLU . 13.5 t0 -93.42 -57.07 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.41 ' HB3' ' CD ' ' A' ' 42' ' ' GLN . 10.3 m120 -81.32 47.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mt-30 -86.7 -48.42 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' TYR . 5.1 pt-20 -70.01 -39.44 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.41 ' CD ' ' HB3' ' A' ' 39' ' ' ASN . 3.8 pt20 -45.06 -21.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' GLU . 29.6 m-85 -72.45 164.52 26.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' THR . 69.0 p -122.17 145.74 47.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . 40.0 p -35.52 -35.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.8 mp -69.03 -69.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -43.27 -40.78 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.09 -39.8 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.88 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -67.0 -57.27 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.56 ' ND2' HG22 ' A' ' 46' ' ' ILE . 51.4 m-80 -44.96 -56.66 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.444 ' CB ' HD22 ' A' ' 33' ' ' LEU . 20.1 mtm -51.51 -35.24 39.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.434 ' CG ' HD21 ' A' ' 33' ' ' LEU . 78.5 mtp -75.68 -37.39 59.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.49 -36.37 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.42 -46.13 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -49.81 -56.84 8.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.59 83.46 4.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.688 0.756 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.85 4.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.56 -55.55 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.25 -12.79 14.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m 61.04 31.05 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.51 -10.64 70.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.59 -47.07 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.27 -54.97 11.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.549 ' HG2' HD11 ' A' ' 29' ' ' LEU . 14.8 tptp -49.73 -35.96 23.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -73.85 -49.19 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.461 HG23 ' HB1' ' A' ' 79' ' ' ALA . 15.7 mt -48.18 -51.44 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.49 -42.51 74.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -57.83 -33.61 68.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 77.8 m -74.16 -37.51 63.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.61 -48.93 79.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.597 ' HG3' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -48.52 -27.84 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.597 HG23 ' HG3' ' A' ' 71' ' ' GLU . 2.2 t -102.78 130.5 23.71 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -20.19 35.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.89 -0.61 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 72' ' ' VAL . 96.7 mt -122.59 -23.28 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -53.08 -38.13 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.26 -41.86 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -55.65 -53.94 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.92 -33.57 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.62 -35.52 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 79' ' ' ALA . 11.5 mt -70.54 -39.38 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -56.76 -47.57 79.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -43.82 -51.08 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.877 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.544 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.779 0.324 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.1 ttt85 -40.99 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -42.74 -23.0 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 69.0 mt -85.6 -45.47 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.16 -36.33 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.75 -59.37 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.711 HG22 HD22 ' A' ' 75' ' ' LEU . 24.0 pt -63.07 150.44 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 19' ' ' LYS . 32.4 m-80 -71.59 136.31 47.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 18' ' ' ASN . 13.4 mmtp -34.3 -42.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -48.05 -49.52 31.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' HA ' HD13 ' A' ' 24' ' ' LEU . 24.0 m-85 -71.4 -45.01 63.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 28.8 t80 -41.68 -43.32 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 t -54.07 -39.44 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.9 mp -66.62 -44.15 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -55.34 -42.91 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 35' ' ' LEU . 40.7 mtmt -61.04 -24.87 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t -74.71 -49.04 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -25.08 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.3 mm? -98.35 -19.02 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.29 -37.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.5 -48.93 36.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.57 -63.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 51' ' ' MET . 69.1 mt -67.78 -11.09 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 59.1 48.59 10.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.718 HD22 ' CD2' ' A' ' 43' ' ' TYR . 29.1 mt -75.54 164.31 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' ASN . 19.2 mt-10 -89.44 98.39 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.3 ptp180 -41.27 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.8 t70 -95.16 -33.44 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -112.52 47.0 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -85.12 -10.64 56.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.32 -48.66 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.453 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 3.6 pt20 -45.61 -35.22 3.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.718 ' CD2' HD22 ' A' ' 35' ' ' LEU . 38.5 m-85 -69.22 123.3 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.9 p -99.04 -174.77 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.5 p -69.42 -15.42 63.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.0 mt -88.07 -70.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' ILE . 75.6 mt-30 -36.07 -47.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.4 mm -63.13 -40.62 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -57.33 -45.19 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.661 ' HB3' HD22 ' A' ' 33' ' ' LEU . 15.3 mtm -45.71 -38.47 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.7 mtp -71.91 -46.54 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -48.44 -32.77 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.38 -45.99 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HG3' HD23 ' A' ' 33' ' ' LEU . 24.8 mmmt -53.51 -51.83 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.63 83.85 35.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.69 1.38 4.44 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.2 -55.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -7.99 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m 52.63 27.31 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.88 19.4 53.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 66' ' ' ILE . 15.5 tp -78.39 -71.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.7 -58.07 6.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -43.84 -35.75 2.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.6 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -78.83 -47.01 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.971 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 62' ' ' LEU . 58.0 mt -46.61 -53.93 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.1 -47.55 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -49.0 -32.04 8.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.84 -37.28 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLU . 21.8 mm-40 -56.33 -62.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 10.7 pt-20 -36.77 -39.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.79 130.15 39.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.667 0.746 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.93 32.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.765 2.31 . . . . 0.0 112.296 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.09 53.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 HG22 ' A' ' 17' ' ' ILE . 90.3 mt -114.11 -17.0 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -46.73 -55.47 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -45.67 -32.8 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.418 HH11 ' CA ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.89 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.69 -27.48 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.2 mt -79.9 -47.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.58 -27.43 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -78.87 -51.92 9.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -63.46 -35.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.758 HD11 ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -44.46 -25.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.02 -24.09 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.06 -64.38 1.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -48.62 -31.54 6.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.65 -51.14 61.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.478 HG22 HD22 ' A' ' 75' ' ' LEU . 17.6 pt -76.34 150.71 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 69.4 m-80 -79.92 144.98 32.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.5 mmtp -34.81 -43.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -41.43 -62.58 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 10.4 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -44.88 -39.6 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -56.27 -36.13 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.31 -48.08 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 24.4 t80 -50.93 -47.3 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.1 mtmt -58.37 -41.05 83.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -60.98 -42.43 98.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' A' ' 68' ' ' PHE . 17.6 mt -66.13 -42.84 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.676 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.4 mm? -79.74 -21.31 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.46 -54.89 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.67 -62.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.92 -10.81 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.7 m-20 55.09 32.03 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.78 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -77.49 175.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -83.27 -49.25 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.75 -17.08 10.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.3 m120 -86.42 36.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -84.23 -36.58 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -75.82 -37.97 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -54.26 -15.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -76.92 168.2 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -119.69 -174.83 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.1 p -78.46 -23.06 46.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.0 mt -78.4 -70.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 46' ' ' ILE . 31.5 mt-30 -33.88 -55.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.11 -42.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.758 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -51.24 -63.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -47.66 -62.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.7 mtm -41.15 -42.87 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.3 mtp -67.66 -49.28 63.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.92 -44.07 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -81.65 -44.97 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 36.4 tptt -49.83 -64.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -108.86 83.41 2.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.47 3.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.272 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.73 -52.59 5.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.54 -2.35 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.6 m 53.92 25.13 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.23 -21.95 41.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -39.17 -57.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.364 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.94 -65.42 3.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.676 ' HG2' HD11 ' A' ' 29' ' ' LEU . 21.4 tptt -40.01 -38.02 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.5 tm? -71.01 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' LEU . 53.4 mt -35.7 -53.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -53.26 -54.48 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 28' ' ' LEU . 31.1 t80 -44.13 -40.2 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 81.0 m -68.19 -48.31 65.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -40.79 -48.32 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.07 -45.82 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 74' ' ' ALA . 25.8 t -82.62 120.71 77.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -0.59 7.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.292 . . . . 0.0 112.333 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.729 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -103.44 -13.89 16.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 HG22 ' A' ' 17' ' ' ILE . 90.7 mt -111.24 -11.26 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -51.99 -49.32 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -52.24 -29.9 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -84.83 -41.24 16.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.629 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.44 -56.23 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -37.96 63.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.48 -39.49 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 79' ' ' ALA . 12.5 mt -65.52 -16.21 63.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -91.07 -35.75 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -56.33 -50.62 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 49' ' ' ALA . 5.9 tp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.839 0.352 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -41.79 -23.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -46.96 -38.89 10.8 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.8 -60.03 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.55 -32.71 67.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' SG ' ' NE ' ' A' ' 78' ' ' ARG . 48.3 t -48.06 -59.07 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.626 HG22 HD22 ' A' ' 75' ' ' LEU . 26.1 pt -68.15 133.88 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 148.67 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -41.56 -33.35 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -52.4 -54.54 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' HA ' HD13 ' A' ' 24' ' ' LEU . 33.2 m-85 -71.92 -48.59 44.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 17.5 t80 -39.14 -48.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -49.48 -47.57 48.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.9 mp -55.38 -54.92 37.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.51 -46.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.22 -41.7 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -61.69 -34.58 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.03 -44.31 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 33' ' ' LEU . 3.1 mm? -75.02 -23.89 58.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.45 -43.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -62.21 -59.05 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 50.5 m-20 -62.1 -61.99 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 29' ' ' LEU . 86.4 mt -63.67 -14.06 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 32' ' ' ASP . 51.5 m-80 59.18 40.11 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 43' ' ' TYR . 14.3 mt -67.23 177.28 1.88 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLN . 19.8 mt-10 -104.41 104.92 14.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' N ' ' OE1' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -52.66 -20.77 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -102.9 -13.16 17.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.451 ' OD1' ' CD ' ' A' ' 42' ' ' GLN . 2.6 t-20 -132.98 30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.6 mt-30 -86.97 -12.54 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.8 -26.78 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 2.6 pt20 -74.1 -38.46 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CD2' HD22 ' A' ' 35' ' ' LEU . 18.3 m-85 -58.17 115.25 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -91.56 172.75 8.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.7 p -53.48 -30.57 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.0 mp -75.75 -64.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -47.57 -36.75 11.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 43' ' ' TYR . 25.3 mm -73.38 -36.54 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -68.1 -60.23 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.515 ' ND2' HG22 ' A' ' 46' ' ' ILE . 50.9 m-80 -41.51 -51.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 mtm -53.38 -54.27 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.3 mtp -57.09 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -44.96 -25.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.29 -49.55 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' HD23 ' A' ' 33' ' ' LEU . 16.8 mmmt -46.76 -61.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -107.15 84.17 1.59 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 54.2 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.34 -57.9 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -8.51 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m 63.66 27.65 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.17 -7.54 81.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.569 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -49.66 -60.55 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -53.6 -56.84 18.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.94 -40.08 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.61 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.0 tm? -70.63 -44.18 67.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HA2' ' A' ' 63' ' ' GLY . 35.5 mt -51.38 -55.66 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -52.53 -47.91 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -52.56 -35.89 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 66.9 m -76.9 -26.52 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.68 -59.58 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -40.64 -34.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 74' ' ' ALA . 2.5 t -94.05 127.94 43.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.74 37.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -91.56 -15.75 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.626 HD22 HG22 ' A' ' 17' ' ' ILE . 59.2 mt -107.79 -17.66 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -47.62 -54.09 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -46.83 -28.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NE ' ' SG ' ' A' ' 16' ' ' CYS . 17.1 tpp180 -82.63 -44.78 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -52.26 -51.9 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -28.97 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.7 mt -77.93 -33.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 79' ' ' ALA . 25.3 mt -69.52 -38.71 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LYS . 45.9 mttm -62.05 -56.44 18.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' LYS . 16.1 tptp -35.24 -50.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 49' ' ' ALA . 11.4 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.813 0.339 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -43.75 -24.63 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.32 -21.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.59 -64.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -47.37 -31.89 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.64 -57.44 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.8 pt -69.02 152.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' HIS . 11.4 m120 -83.15 154.03 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -41.34 -26.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASN . 18.7 t60 -55.32 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 9.4 m-85 -70.4 -43.11 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 12.9 t80 -47.29 -39.42 14.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -55.49 -41.98 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.1 mp -63.77 -45.48 89.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -51.95 -47.49 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -59.87 -29.2 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -71.92 -33.99 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.11 -24.42 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -97.04 -19.1 18.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.77 -42.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.95 -50.35 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -69.79 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 51' ' ' MET . 65.2 mt -60.22 -13.08 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 61.85 35.92 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.92 171.29 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' ASP . 1.8 mm-40 -100.76 106.28 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 77.8 mtp180 -34.97 -32.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.7 p-10 -83.3 -49.1 9.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.796 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 18.9 m120 -92.99 41.79 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 32.9 mt-30 -86.92 -49.72 7.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.03 -42.33 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.71 -24.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 30.9 m-85 -69.42 162.93 26.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -111.85 -176.74 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 21.8 p -77.22 -19.89 56.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.2 mt -83.12 -70.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' ILE . 17.6 mt-30 -33.8 -55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.76 -44.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -51.38 -59.43 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.03 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' MET . 42.0 m-20 -46.94 -67.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.732 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.1 mtm -36.57 -45.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 56.3 mtp -67.47 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -38.62 -28.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' MET . 62.5 mm-40 -92.44 -47.79 6.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HG3' HD23 ' A' ' 33' ' ' LEU . 22.8 mmmt -53.9 -44.42 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.94 83.65 62.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -8.25 23.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.62 -58.23 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -100.49 -19.42 16.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m 62.83 30.99 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.15 19.07 58.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.6 tp -80.02 -71.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.98 -63.19 3.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -39.44 -38.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.629 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.3 tm? -77.58 -42.67 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.5 mt -51.46 -56.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.86 -43.75 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.56 -31.54 62.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.4 m -78.5 -23.76 46.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.94 -60.44 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.51 -28.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 74' ' ' ALA . 20.5 t -98.25 120.75 58.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.59 2.193 . . . . 0.0 112.382 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.672 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -111.79 -1.15 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.14 -16.9 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -45.17 -60.5 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.86 -28.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' ALA . 7.4 tpt180 -80.45 -56.77 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' ARG . . . -36.59 -65.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 11.9 pt-20 -41.39 -47.91 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.429 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 69.1 mt -58.73 -42.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.96 -37.36 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 33.2 mttt -68.66 -49.51 58.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -37.65 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' LYS . 29.2 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.762 0.315 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LEU . 18.6 mtp180 -53.67 -21.77 7.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.37 -26.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ARG . 18.2 mt -83.96 -51.52 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.46 -37.52 72.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -44.88 -55.97 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.41 HG22 HD22 ' A' ' 75' ' ' LEU . 14.7 pt -68.95 138.25 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -63.54 156.68 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -53.27 -18.85 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -62.71 -60.28 3.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.501 ' HA ' HD13 ' A' ' 24' ' ' LEU . 15.4 m-85 -70.73 -42.9 69.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 23.0 t80 -43.22 -38.65 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -52.51 -47.05 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.7 mp -58.36 -56.1 26.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HA ' HD12 ' A' ' 28' ' ' LEU . 23.3 t80 -42.31 -49.57 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -58.9 -38.62 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -67.0 -28.96 68.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 25' ' ' PHE . 20.3 mt -79.72 -35.43 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.565 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.3 mm? -87.95 -22.83 24.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.553 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . . . -34.93 -49.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -53.25 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.22 -63.06 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 51' ' ' MET . 40.6 mt -55.58 -23.57 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.2 t-20 71.43 35.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.58 169.44 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ASP . 18.7 mt-10 -97.07 97.93 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 63.9 mtt85 -35.55 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' GLU . 19.1 t0 -90.38 -50.31 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.582 ' ND2' ' NE2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -90.26 40.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.553 ' NE2' ' HB2' ' A' ' 30' ' ' ALA . 27.5 mt-30 -87.14 -17.04 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -66.08 -43.2 88.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.582 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 11.0 pt20 -53.04 -41.05 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HB3' HD11 ' A' ' 48' ' ' ILE . 45.4 m-85 -67.1 138.17 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -126.13 168.32 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.8 p -45.2 -25.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 46' ' ' ILE . 22.7 mm -76.02 -65.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.1 -51.68 51.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 43' ' ' TYR . 48.0 mm -55.5 -43.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.27 -62.84 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -47.4 -49.97 23.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.617 ' HB3' HD22 ' A' ' 33' ' ' LEU . 6.9 mtm -52.25 -36.62 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 38.8 mtp -75.28 -40.02 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -49.38 -42.32 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -84.85 -44.11 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -55.24 -63.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.92 84.44 3.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.675 0.75 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -4.54 14.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.24 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -115.57 -9.18 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m 63.34 28.09 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.78 7.77 70.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.564 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.49 -44.0 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.27 -52.14 28.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.565 ' HG2' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -52.07 -32.29 34.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -74.24 -51.35 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.5 mt -45.37 -57.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -50.21 -45.55 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.66 -31.24 64.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 m -76.78 -27.31 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.78 -53.75 42.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CG ' HG23 ' A' ' 72' ' ' VAL . 5.3 pt-20 -44.44 -34.36 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.458 HG23 ' CG ' ' A' ' 71' ' ' GLU . 46.7 t -101.13 126.45 34.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.105 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -27.67 26.58 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -78.9 -11.58 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 17' ' ' ILE . 93.1 mt -109.36 -12.57 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -61.18 -14.17 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -75.16 -25.84 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.83 -43.35 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.52 14.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.05 -33.4 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.0 -42.58 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.26 -47.87 54.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LYS . 12.5 mtpt -54.76 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' LYS . 7.3 tppt? -35.67 -56.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.721 0.296 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -52.96 -15.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.38 -17.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.4 mt -92.52 -55.61 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.298 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' CYS . 6.4 mm-40 -59.52 -41.84 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.5 t -37.11 -63.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.438 HG22 HD22 ' A' ' 75' ' ' LEU . 32.0 pt -60.34 136.8 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' HIS . 79.4 m-20 -56.11 143.38 33.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -39.49 -29.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 22.9 t60 -53.31 -54.45 36.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.643 ' CD2' HD21 ' A' ' 75' ' ' LEU . 16.8 m-85 -74.49 -46.79 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -41.74 -45.71 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -54.54 -47.11 73.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.2 mp -55.76 -51.19 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -47.86 -45.49 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.99 -35.68 79.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -66.82 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.08 -37.69 81.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.3 mm? -84.37 -23.07 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -33.94 -51.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -51.57 -61.76 2.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -62.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.58 -11.44 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.2 m120 55.93 38.41 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.87 -178.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -74.4 125.89 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtt-85 -32.99 -52.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -128.72 -27.18 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.484 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -76.72 45.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.92 -29.11 35.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.71 -39.86 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.472 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 4.0 pt20 -48.17 -31.48 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -77.49 154.68 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' THR . 73.5 p -119.78 149.45 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 33.3 p -35.89 -34.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.1 mp -66.38 -66.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -44.54 -41.15 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.3 mm -70.0 -28.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.733 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -78.12 -48.12 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.576 ' ND2' HG22 ' A' ' 46' ' ' ILE . 59.1 m-80 -61.94 -42.81 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.3 mtm -60.12 -46.16 90.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HE3' ' CD1' ' A' ' 29' ' ' LEU . 27.2 mtp -67.06 -43.66 82.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -40.85 -38.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -94.44 -46.91 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 45.4 tptt -42.76 -52.91 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 55' ' ' LYS . 1.5 m-85 -118.81 88.03 34.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -2.99 11.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -57.61 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 6.9 p30 -124.84 25.98 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.7 p 39.25 30.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 84.35 -25.68 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ASP . 25.2 tp -39.07 -48.28 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.73 -54.92 30.17 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -53.26 -33.28 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -73.49 -50.29 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG23 ' HB1' ' A' ' 79' ' ' ALA . 47.4 mt -49.42 -49.99 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.42 -43.64 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.8 -32.31 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.58 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 81.9 m -76.82 -38.96 52.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.23 -53.83 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' HG2' HG23 ' A' ' 72' ' ' VAL . 4.6 pt-20 -49.41 -23.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.484 HG23 ' HG2' ' A' ' 71' ' ' GLU . 3.6 t -108.99 130.0 23.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.698 0.761 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -28.93 24.82 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.96 58.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.643 HD21 ' CD2' ' A' ' 21' ' ' TYR . 60.8 mt -106.46 -21.36 13.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -49.35 -50.71 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -55.78 -23.1 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -87.09 -42.62 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -49.96 -64.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -41.99 -48.11 4.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.488 ' N ' ' OE1' ' A' ' 80' ' ' GLU . 71.8 mt -53.14 -44.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.58 -16.84 62.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -83.29 -39.74 20.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -53.99 -55.01 31.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -81.37 173.26 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -127.63 175.52 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.65 -154.99 17.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 70.14 42.48 0.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -109.27 40.76 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.18 58.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.55 143.18 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 11' ' ' LEU . 41.5 t -134.37 143.22 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.789 HD22 HD22 ' A' ' 62' ' ' LEU . 25.5 mt -50.08 -21.81 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.728 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -89.33 -39.09 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -50.93 -19.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.22 -21.49 0.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.77 -59.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.4 -24.89 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.8 -51.54 69.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 pt -74.23 158.94 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 19' ' ' LYS . 5.7 m120 -80.39 143.57 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' ASN . 9.6 tmtm? -36.32 -38.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -49.16 -66.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.577 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.0 m-85 -58.94 -41.89 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -45.9 -50.97 13.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -44.2 -45.8 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.4 mp -60.01 -44.81 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -54.18 -45.05 72.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 35' ' ' LEU . 41.7 mtmt -62.46 -33.06 74.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -69.32 -42.8 74.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -67.8 -23.75 65.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.66 HD11 ' HE2' ' A' ' 64' ' ' LYS . 4.5 mm? -99.04 -16.51 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.45 -39.2 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.11 -48.91 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.41 -62.64 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.37 -16.39 64.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.0 t30 66.91 35.41 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 26' ' ' LYS . 79.8 mt -55.52 177.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 4.1 mm-40 -69.18 177.42 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.89 -34.09 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.24 -1.9 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 3.3 m120 -108.21 35.32 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -86.36 -10.58 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.7 -33.63 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.53 -12.48 32.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -80.16 170.05 16.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' ILE . 46.5 p -141.53 150.77 42.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.8 p -39.93 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.2 mm -69.54 -67.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -49.32 -36.48 21.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.2 mm -73.68 -37.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.728 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.12 -57.5 12.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -53.08 -41.26 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.0 mtm -57.37 -43.03 83.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtp -71.5 -39.47 70.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.07 -54.76 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.58 -53.07 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 28.5 tptt -52.06 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.28 82.5 1.22 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.92 27.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.299 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.29 11.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -120.69 -14.63 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 71.22 29.6 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.82 9.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.789 HD22 HD22 ' A' ' 10' ' ' LEU . 15.7 tp -41.26 -52.31 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -63.52 -60.58 7.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.521 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.66 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -45.75 -35.23 4.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -74.77 -56.7 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.45 HD12 ' HA2' ' A' ' 63' ' ' GLY . 31.4 mt -34.37 -48.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.18 -51.12 70.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -48.22 -26.88 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.3 m -84.34 -37.12 21.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.96 -47.08 81.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 72' ' ' VAL . 5.8 pt-20 -54.52 -40.18 68.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.6 t -86.62 132.67 41.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 -27.88 26.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.23 -6.2 59.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -115.35 -19.37 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -50.84 -36.36 37.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -61.67 -33.96 74.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -85.17 -41.13 15.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.92 -48.97 8.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -36.11 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.21 -37.05 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt -69.74 -50.58 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HE2' ' CG2' ' A' ' 66' ' ' ILE . 70.4 mttt -45.93 -54.56 8.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -39.9 -45.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.1 -40.89 71.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.634 ' HB2' HD21 ' A' ' 62' ' ' LEU . 26.4 ttt-85 -50.25 -60.04 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.6 m -63.94 149.39 47.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -129.8 -58.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 m -115.99 37.93 3.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.17 140.6 0.99 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 176.37 6.84 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.4 t -89.87 81.05 6.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -70.76 115.98 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.245 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.456 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.7 t -50.12 105.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 0.0 110.813 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 23.3 p 35.1 41.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.01 89.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 m -67.88 150.31 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p 44.47 39.84 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.09 49.46 3.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.81 132.45 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG13 ' H ' ' A' ' 12' ' ' ARG . 8.1 p -143.27 150.89 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 62' ' ' LEU . 54.4 mt -46.75 -31.84 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.695 HD11 ' HB1' ' A' ' 49' ' ' ALA . 6.0 tt -70.65 -35.36 72.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.556 ' H ' HG13 ' A' ' 9' ' ' VAL . 12.0 ttt180 -44.45 -22.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.61 12.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -71.24 -49.66 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.62 -28.83 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.62 -57.29 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 HD22 ' A' ' 75' ' ' LEU . 20.0 pt -66.87 151.87 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -69.74 154.94 41.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -51.09 -35.54 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -53.69 -55.79 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -67.68 -35.12 78.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 26.1 t80 -51.19 -40.81 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 t -54.38 -46.54 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -49.06 79.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CE1' HD21 ' A' ' 29' ' ' LEU . 11.6 t80 -50.79 -46.12 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.73 -25.8 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -74.45 -40.57 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.57 -25.54 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 64' ' ' LYS . 3.0 mm? -94.56 -20.18 19.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -40.92 -39.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -71.1 -48.99 49.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.28 -62.98 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD21 ' HG2' ' A' ' 52' ' ' MET . 58.8 mt -68.5 -5.14 17.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 52.98 48.54 22.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 30' ' ' ALA . 8.6 mt -73.94 170.86 14.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' ASN . 13.8 mt-10 -95.52 99.37 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' HD2' ' NE2' ' A' ' 40' ' ' GLN . 38.2 mmm-85 -40.76 -25.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' GLU . 68.2 m-20 -92.57 -34.11 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.548 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.1 t-20 -111.46 44.82 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' NE2' ' HD2' ' A' ' 37' ' ' ARG . 29.3 mt-30 -87.03 -22.04 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.76 -48.56 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.548 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 5.8 pt20 -46.45 -29.22 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 24.7 m-85 -74.65 150.29 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -130.94 165.84 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 76.3 p -44.7 -25.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mm -74.04 -69.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -45.9 -55.03 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 33' ' ' LEU . 26.3 mm -55.37 -42.71 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.695 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -57.21 -30.44 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -73.66 -59.05 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.599 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -44.55 -45.8 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.752 ' HG2' HD21 ' A' ' 33' ' ' LEU . 42.0 mtp -66.03 -53.15 42.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -42.19 -28.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -93.2 -51.49 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -48.12 -61.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.22 83.61 1.47 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.59 5.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.62 -54.64 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -19.69 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 62.34 29.45 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.6 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 10' ' ' LEU . 34.7 tp -58.58 -70.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -51.33 -40.22 45.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HG2' HD11 ' A' ' 29' ' ' LEU . 14.0 tptt -59.63 -42.47 92.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.564 HD12 HD13 ' A' ' 82' ' ' LEU . 3.5 tm? -66.18 -49.32 67.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.537 HD12 ' HA2' ' A' ' 63' ' ' GLY . 18.6 mt -43.61 -50.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.0 -54.39 43.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -43.81 -37.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.616 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 59.4 m -77.96 -37.85 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.61 -50.39 60.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.52 -45.67 77.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 74' ' ' ALA . 16.1 t -83.2 121.93 77.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -4.46 14.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.662 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -99.32 -21.72 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 17' ' ' ILE . 34.7 mt -102.52 -16.27 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -48.01 -34.68 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 80' ' ' GLU . 19.7 ttpt -51.98 -52.48 50.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.5 mmt-85 -67.59 -40.66 84.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -47.73 -54.63 11.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 5.8 pt-20 -57.99 -24.35 57.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.77 -40.75 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.564 HD13 HD12 ' A' ' 65' ' ' LEU . 19.5 mt -64.09 -28.11 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 66' ' ' ILE . 62.3 mttt -73.42 -54.12 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -39.54 -50.89 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.85 -43.34 83.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -53.59 -60.64 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -114.13 136.14 53.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -130.93 84.97 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p 45.0 41.91 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.79 159.69 21.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 138.87 39.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -57.76 125.26 22.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 p -46.18 143.09 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -113.52 92.05 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t 52.5 43.39 31.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.58 77.07 0.39 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -52.57 -47.13 67.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -93.49 51.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.83 76.36 1.55 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.4 mt -128.66 141.9 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.364 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 10' ' ' LEU . 11.6 p -148.62 162.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.646 ' H ' HD12 ' A' ' 10' ' ' LEU . 4.9 mp -57.63 -26.7 61.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.976 HD11 ' HB1' ' A' ' 49' ' ' ALA . 5.6 tp -76.85 -22.72 53.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -52.62 -28.86 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.52 -35.08 2.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -68.23 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.73 0.3 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.88 -30.45 58.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 t -49.36 -57.51 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.58 HG22 HD22 ' A' ' 75' ' ' LEU . 17.6 pt -65.06 136.65 26.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 9.5 m120 -60.88 145.53 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.9 tptt -38.08 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -47.13 -50.9 19.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.516 ' HA ' HD13 ' A' ' 24' ' ' LEU . 19.5 m-85 -73.11 -51.0 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 36.7 t80 -40.23 -47.97 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -47.5 -42.5 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.9 mp -63.34 -56.46 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.445 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.8 t80 -39.82 -48.95 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.5 mtmt -55.1 -44.32 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -65.04 -32.15 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 25' ' ' PHE . 14.4 mt -79.3 -26.07 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.654 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.2 mm? -98.4 -16.89 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.63 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . . . -38.25 -50.52 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -60.86 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -63.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD1' HG23 ' A' ' 48' ' ' ILE . 49.9 mt -61.39 -20.54 63.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.1 m-80 72.22 38.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 30' ' ' ALA . 7.3 mt -74.72 165.22 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' ASP . 2.1 mp0 -90.4 98.61 11.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 2.4 ppt_? -39.48 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.9 p30 -93.58 -36.98 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -107.95 46.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.63 ' NE2' ' HB2' ' A' ' 30' ' ' ALA . 37.5 mt-30 -86.81 -20.94 26.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.0 pp20? -66.81 -51.03 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 39' ' ' ASN . 5.6 pt20 -45.55 -28.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 22.5 m-85 -75.99 142.79 41.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -122.93 167.63 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 7.9 p -51.14 -26.38 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' ALA . 22.9 mm -77.98 -69.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -43.78 -37.16 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.422 HG23 ' CD1' ' A' ' 33' ' ' LEU . 17.1 mm -73.76 -31.4 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.976 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -61.36 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -46.36 -55.2 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 mtm -44.85 -50.02 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.2 mtp -62.81 -52.25 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.42 -33.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -93.03 -31.86 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.3 tptp -63.81 -56.08 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -116.51 83.68 13.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.26 5.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.5 -52.69 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -122.85 6.25 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.96 26.16 3.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.11 -20.26 50.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.408 HD22 HD23 ' A' ' 10' ' ' LEU . 18.0 tp -39.01 -37.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.0 -58.96 3.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.654 ' HG2' HD11 ' A' ' 29' ' ' LEU . 6.6 tptm -46.05 -36.68 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -67.33 -51.49 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.431 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 51.9 mt -41.4 -58.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.6 -57.27 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -39.86 -47.09 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.634 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 74.8 m -67.78 -52.76 33.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.07 -57.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -47.36 -48.9 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 21' ' ' TYR . 2.9 t -84.49 128.17 62.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -22.46 32.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -83.35 -6.64 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.58 HD22 HG22 ' A' ' 17' ' ' ILE . 58.6 mt -120.11 -20.34 7.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -44.15 -27.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -42.87 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -73.72 -34.66 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -55.09 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.28 -55.06 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.2 mt -46.79 -42.41 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 66' ' ' ILE . 66.4 mttt -43.06 -36.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -59.51 -44.72 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -69.68 -50.14 46.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -38.84 -55.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -78.9 147.71 32.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 89' ' ' SER . 7.6 pt-20 -107.05 91.69 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 88' ' ' GLU . 14.8 m 34.46 40.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.49 146.08 24.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 98.42 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.252 . . . . 0.0 112.318 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t 43.7 45.41 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.6 p -97.91 45.02 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.547 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -139.55 139.34 36.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -85.58 169.96 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.05 53.15 0.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -59.12 -51.24 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 110.827 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -86.61 -45.67 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.75 -44.35 3.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.565 HG23 ' HD2' ' A' ' 12' ' ' ARG . 80.4 mt -40.11 131.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.401 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.656 HG13 ' H ' ' A' ' 12' ' ' ARG . 7.9 p -117.52 142.97 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mp -40.01 -34.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.022 HD11 ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt -67.61 -40.75 84.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.656 ' H ' HG13 ' A' ' 9' ' ' VAL . 6.0 ttm180 -35.0 -34.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -40.03 -47.36 3.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.11 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -47.72 -39.5 17.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 t -40.02 -57.27 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.454 HD13 ' HE2' ' A' ' 68' ' ' PHE . 6.0 pt -75.42 133.52 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.15 155.79 13.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -45.36 -44.8 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -40.93 -63.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CE2' HD21 ' A' ' 75' ' ' LEU . 28.7 m-85 -64.81 -44.43 89.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 25.0 t80 -42.6 -44.88 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -48.44 -41.86 30.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.32 -35.88 78.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 33.0 t80 -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 36.0 mtmt -57.73 -36.82 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 t -62.83 -44.58 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.08 -30.04 70.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.2 mm? -88.86 -25.11 22.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.38 -52.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.32 -54.31 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 51' ' ' MET . 69.1 mt -72.97 2.68 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 99.1 m-20 46.79 41.6 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 26' ' ' LYS . 68.5 mt -57.92 176.85 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 5.9 mm-40 -70.21 164.38 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -31.89 40.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.37 -29.85 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.461 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 9.3 m120 -80.77 44.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -86.96 -39.22 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.26 -43.85 80.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 39' ' ' ASN . 4.6 pt20 -45.57 -26.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -73.08 163.93 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.8 p -136.73 158.49 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 71.7 p -43.51 -35.79 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.95 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.76 -44.49 48.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.91 -39.74 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.022 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -58.08 -67.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ALA . 36.3 m-80 -36.38 -48.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.636 ' HB3' HD22 ' A' ' 33' ' ' LEU . 29.4 mtm -58.27 -44.27 88.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ALA . 38.1 mtp -67.72 -39.82 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -41.47 51.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.41 -44.32 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tptp -58.15 -61.35 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.8 m-85 -108.99 83.05 2.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.13 -58.68 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -118.83 -6.98 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m 68.79 25.01 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.441 ' HA2' ' HE2' ' A' ' 52' ' ' MET . . . 108.11 -37.3 3.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.423 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 tp -39.1 -54.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.71 -67.24 2.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.48 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -42.76 -35.48 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.3 tm? -72.43 -51.89 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.2 mt -41.46 -53.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -57.98 -48.72 79.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.454 ' HE2' HD13 ' A' ' 17' ' ' ILE . 22.0 t80 -47.97 -28.79 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.7 m -78.99 -38.63 36.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLU . 14.8 mm-40 -49.18 -61.31 2.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' GLU . 13.8 pt-20 -37.67 -38.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 74' ' ' ALA . 3.4 t -89.77 129.5 46.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.733 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.91 27.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.37 -23.25 37.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.474 HD21 ' CE2' ' A' ' 21' ' ' TYR . 73.1 mt -94.86 -29.32 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LEU . 49.2 mtp180 -34.53 -60.68 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -45.2 -44.07 10.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.751 ' HA ' HD12 ' A' ' 81' ' ' ILE . 18.2 tpp180 -65.62 -41.8 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.44 -63.84 1.02 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.1 pt-20 -45.77 -37.41 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 78' ' ' ARG . 57.7 mt -64.16 -43.31 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.05 -50.73 70.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -50.45 -44.9 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -39.01 -47.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' ARG . 18.1 mt-10 -77.03 -48.84 16.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' GLU . 54.8 ttt180 -35.35 -49.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -60.54 105.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -111.7 -39.03 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -107.29 -46.13 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.42 158.56 9.48 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -37.4 9.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.1 m -120.17 145.38 47.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -120.72 108.97 14.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 m 55.02 47.54 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -136.82 116.66 13.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.94 149.67 18.09 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -124.3 -50.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -65.66 -28.93 69.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . 63.33 -86.16 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.3 mp -35.3 142.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.632 HG13 ' H ' ' A' ' 12' ' ' ARG . 7.7 p -153.76 142.21 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD22 HD22 ' A' ' 62' ' ' LEU . 15.2 mt -42.75 -31.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -65.68 -47.47 75.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.632 ' H ' HG13 ' A' ' 9' ' ' VAL . 22.7 ttt180 -43.93 -27.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' ARG . . . -36.85 -28.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' ARG . 29.7 mt -83.28 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.31 -24.79 60.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -54.98 -59.6 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.403 HG22 HD22 ' A' ' 75' ' ' LEU . 12.3 pt -66.83 161.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.6 t-20 -86.8 143.13 27.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' ASN . 26.0 mmtt -34.54 -42.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' HA ' HD13 ' A' ' 24' ' ' LEU . 24.2 m-85 -72.7 -42.87 63.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 21.1 t80 -44.23 -49.93 9.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -43.92 -51.71 7.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 24' ' ' LEU . 6.0 mp -55.35 -49.6 71.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.11 -43.68 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 35' ' ' LEU . 45.1 mtmt -63.14 -46.88 85.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -55.07 -37.92 67.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.99 -48.8 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.738 HD21 ' HG2' ' A' ' 64' ' ' LYS . 3.8 mm? -75.26 -13.96 60.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -43.74 -47.22 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -56.28 -60.96 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.2 -63.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 51' ' ' MET . 95.0 mt -60.67 -16.74 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 30' ' ' ALA . 45.1 t30 63.0 36.08 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 26' ' ' LYS . 23.2 mt -58.29 -178.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASP . 7.5 mt-10 -119.32 110.46 17.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 38' ' ' ASP . 3.8 ptp180 -36.32 -32.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -86.93 -50.99 6.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.684 ' ND2' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -75.74 4.61 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' GLU . 28.2 mt-30 -80.84 -11.74 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.98 -14.1 26.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.572 ' CG ' ' ND2' ' A' ' 39' ' ' ASN . 9.5 pt20 -100.49 -44.2 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.684 ' CE1' ' ND2' ' A' ' 39' ' ' ASN . 17.8 m-85 -42.49 129.25 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.6 p -97.52 160.72 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 p -47.79 -22.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.62 -62.16 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -48.3 -50.81 28.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mm -58.24 -36.7 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.85 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.5 -37.31 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.88 -53.03 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.735 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.1 mpp? -52.11 -62.72 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.574 ' HG2' HD21 ' A' ' 33' ' ' LEU . 68.4 mtp -52.81 -41.89 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.43 -37.56 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -84.23 -43.48 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' HD23 ' A' ' 33' ' ' LEU . 14.9 mmmt -54.88 -60.75 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -112.23 83.5 5.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.68 5.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.6 -54.98 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -11.91 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m 61.92 31.84 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.95 -12.19 58.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.466 HD22 HD22 ' A' ' 10' ' ' LEU . 17.6 tp -40.49 -49.05 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.06 -60.29 8.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HG2' HD21 ' A' ' 29' ' ' LEU . 9.1 tppt? -44.83 -36.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.8 tm? -71.68 -53.38 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.5 mt -45.79 -58.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -51.15 -44.49 61.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.71 -27.86 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' ARG . 93.8 m -83.69 -19.51 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -79.2 -37.12 39.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -63.44 -12.59 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 73' ' ' PRO . 2.0 t -113.25 135.84 21.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.445 ' HD2' ' CG1' ' A' ' 72' ' ' VAL . 53.0 Cg_endo -69.79 -13.35 34.48 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.17 -27.25 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' CYS . 28.9 mt -91.23 -23.66 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 69' ' ' CYS . 8.4 mtt-85 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -63.65 -51.32 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.99 -38.39 90.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.19 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -48.22 -32.75 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.69 -45.15 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.92 -36.2 72.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -68.45 -32.69 72.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -57.17 -34.82 68.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -90.14 -51.15 5.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -42.34 -46.08 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -116.39 137.92 51.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 89' ' ' SER . 13.9 pt-20 -100.56 -50.39 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 14.7 m -108.29 -38.95 5.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.81 147.09 0.75 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.541 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.02 15.24 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 t -55.0 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.2 m -130.47 164.56 24.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.428 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -126.82 -45.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 p -65.01 107.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.72 97.93 0.69 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.557 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -100.78 80.79 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.897 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -84.2 42.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.14 47.44 3.16 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.1 mt -109.47 138.86 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG13 ' H ' ' A' ' 12' ' ' ARG . 9.7 p -122.09 144.16 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.683 HD13 HD22 ' A' ' 62' ' ' LEU . 41.8 mt -42.52 -28.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -68.15 -46.22 71.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.527 ' H ' HG13 ' A' ' 9' ' ' VAL . 24.7 ttt180 -47.14 -21.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.88 -24.21 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' ARG . 9.0 mt -91.82 -63.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HA ' HG21 ' A' ' 45' ' ' THR . 7.5 tm-20 -49.96 -19.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.65 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.68 134.08 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.46 154.97 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -51.82 -18.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -66.68 -51.46 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.576 ' HA ' HD13 ' A' ' 24' ' ' LEU . 10.5 m-85 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 15.4 t80 -52.13 -45.42 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -50.16 -36.05 28.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.8 mp -70.46 -42.56 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 32.3 t80 -56.77 -44.45 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 38.0 mtmt -62.13 -31.04 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 t -67.99 -34.3 76.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.31 -27.02 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -92.58 -22.28 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.1 -47.12 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.478 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.13 -50.03 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.75 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 94.7 mt -73.17 1.62 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 2.7 p-10 47.21 39.94 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 26' ' ' LYS . 32.1 mt -56.7 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 177.45 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -88.46 -52.39 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -122.26 -3.57 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 42' ' ' GLN . 25.1 t30 -103.24 34.28 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.42 -10.86 55.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -80.76 -48.8 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.546 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 6.2 pt20 -45.17 -27.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.23 160.44 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -132.6 162.57 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 25.1 p -50.5 -22.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -75.62 -68.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.92 -40.95 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.07 -42.56 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 11' ' ' LEU . . . -52.77 -57.39 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -54.05 -43.12 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.419 ' HB3' HD22 ' A' ' 33' ' ' LEU . 12.8 mtm -55.54 -36.31 66.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.9 mtp -79.08 -45.26 20.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -43.24 -49.92 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 55' ' ' LYS . 2.6 pp20? -76.3 -52.91 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 tppt? -52.12 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -107.42 82.45 1.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -0.03 6.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 0.0 112.409 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.89 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.59 -4.22 9.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m 57.74 31.71 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.73 -27.43 18.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.683 HD22 HD13 ' A' ' 10' ' ' LEU . 11.2 tp -42.86 -45.18 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.03 -62.21 3.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' HD21 ' A' ' 29' ' ' LEU . 28.6 tptt -45.43 -35.35 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.6 tm? -72.8 -58.57 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 65' ' ' LEU . 19.2 mt -34.89 -49.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.33 -46.36 83.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' LEU . 62.5 t80 -53.58 -30.63 43.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.5 m -76.26 -26.59 56.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' VAL . 50.3 mt-10 -64.34 -62.16 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' CG ' HG23 ' A' ' 72' ' ' VAL . 8.0 pt-20 -39.1 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 74' ' ' ALA . 18.5 t -107.46 123.3 38.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.17 35.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.528 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.57 -20.15 40.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.4 -17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -51.62 -25.6 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.65 -35.35 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -81.13 -45.49 16.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.61 -44.39 8.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.16 -33.7 76.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.79 -40.83 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.82 -55.86 9.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -49.15 -48.42 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.72 -46.85 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.525 ' HB2' HD21 ' A' ' 62' ' ' LEU . 48.7 ttt-85 -47.63 -39.86 18.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 t -65.48 120.08 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -128.77 82.8 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.0 m 43.12 42.88 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.02 163.39 13.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.541 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 84.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.256 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -157.05 122.45 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.6 p -83.17 115.54 21.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -77.58 89.15 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -98.61 118.86 36.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.53 64.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -80.6 144.17 32.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.798 0.332 . . . . 0.0 110.828 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -115.2 83.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.656 ' H ' HD12 ' A' ' 8' ' ' ILE . . . -160.97 51.9 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.656 HD12 ' H ' ' A' ' 7' ' ' GLY . 4.2 mp -111.28 142.12 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.503 HG13 ' H ' ' A' ' 12' ' ' ARG . 8.7 p -139.33 142.04 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.807 HD13 HD22 ' A' ' 62' ' ' LEU . 43.4 mt -37.03 -30.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -70.22 -48.26 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' H ' HG13 ' A' ' 9' ' ' VAL . 9.6 mmp_? -47.42 -20.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.93 0.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.0 mt -84.72 -56.86 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.65 -31.82 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 m -50.94 -50.46 57.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.504 HG22 HD22 ' A' ' 75' ' ' LEU . 17.7 pt -71.75 130.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' LYS . 19.1 m120 -53.89 136.86 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -34.96 -37.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -45.52 -59.32 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.69 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 5.1 m-85 -67.97 -48.49 65.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 34.4 t80 -43.08 -42.75 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -53.01 -38.76 62.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.8 mp -66.72 -45.72 77.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE1' HD21 ' A' ' 29' ' ' LEU . 11.7 t80 -53.65 -44.33 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 39.0 mtmt -60.66 -35.78 77.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.25 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -74.42 -30.21 61.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 25' ' ' PHE . 3.3 mm? -91.32 -22.21 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.03 -49.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.18 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.55 -61.58 2.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 51' ' ' MET . 49.6 mt -65.85 -10.62 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 4.8 m120 55.72 37.53 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 160.01 21.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ASP . 13.4 mt-10 -80.52 100.42 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HA ' ' CD ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -42.02 -23.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -96.9 -38.14 9.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.552 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 13.2 t-20 -106.61 48.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CD ' ' HA ' ' A' ' 37' ' ' ARG . 28.7 mt-30 -86.67 -25.12 24.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.66 -47.78 44.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.552 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 4.2 pt20 -45.07 -24.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.19 152.64 32.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.2 p -128.86 157.52 41.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 p -41.57 -28.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.8 mm -71.27 -69.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -46.08 -45.29 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.76 -38.33 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -47.91 -40.69 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.627 ' HB3' HD22 ' A' ' 33' ' ' LEU . 13.6 mtm -61.93 -37.13 83.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -76.49 -31.22 57.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.16 -39.51 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.597 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -62.26 -53.27 57.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -118.98 84.05 25.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.01 -54.91 12.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.13 -14.86 9.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m 67.38 31.75 6.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.54 -34.71 5.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.807 HD22 HD13 ' A' ' 10' ' ' LEU . 16.9 tp -39.57 -46.89 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.16 -69.1 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG2' HD11 ' A' ' 29' ' ' LEU . 12.0 tptp -39.38 -34.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' ILE . 2.9 tm? -74.07 -60.3 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' LEU . 56.2 mt -34.96 -55.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -51.58 -53.03 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -47.36 -32.3 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.758 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 58.7 m -74.79 -31.92 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.35 -54.84 42.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -50.29 -39.1 44.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.69 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 3.2 t -87.23 122.22 71.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.57 16.48 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.749 2.299 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.519 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -102.74 -15.18 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD22 HG22 ' A' ' 17' ' ' ILE . 67.2 mt -105.12 -19.76 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -46.58 -39.62 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -52.01 -48.96 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.17 -38.73 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -48.01 -64.82 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.63 -45.17 48.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.24 -41.11 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.72 -42.4 97.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.75 -48.98 79.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -39.65 -50.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' CB ' HD21 ' A' ' 10' ' ' LEU . 26.5 mt-10 -67.48 -54.86 16.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -38.27 -49.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 t -117.12 119.33 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -132.58 80.26 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 t 39.79 52.15 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.15 146.27 39.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -50.11 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -71.76 154.71 41.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 84.3 p -77.89 159.34 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -45.41 -54.08 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -68.49 124.91 24.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.02 136.39 5.55 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -109.0 87.91 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.1 p -105.67 62.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.09 57.5 0.53 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 8' ' ' ILE . 4.3 mp -111.84 153.88 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' LEU . 11.1 p -159.31 146.15 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.756 HD11 HD22 ' A' ' 62' ' ' LEU . 6.4 tt -42.85 -23.88 0.05 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -71.56 -41.54 68.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.8 mmm180 -45.14 -21.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 11' ' ' LEU . . . -42.23 -24.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 15.2 mt -92.43 -51.03 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.87 -13.83 60.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -66.81 -42.39 85.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.2 pt -86.78 131.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.31 156.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -51.07 -22.64 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -59.78 -57.35 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.6 m-85 -71.3 -45.24 63.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 11.1 t80 -42.4 -44.53 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -52.27 -55.83 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.554 ' H ' HD12 ' A' ' 24' ' ' LEU . 7.1 mp -48.25 -49.93 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.44 -47.97 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -56.08 -28.89 59.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -73.46 -43.76 59.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.2 mt -67.61 -28.25 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.4 mm? -94.11 -17.46 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.2 -38.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.6 -48.78 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.34 -62.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.0 -11.71 41.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 60.5 37.57 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.91 166.07 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' ASP . 10.0 mt-10 -91.98 98.71 11.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mmm180 -38.38 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' GLU . 5.3 m-20 -91.84 -40.71 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.544 ' ND2' ' CD ' ' A' ' 42' ' ' GLN . 11.9 t-20 -102.98 46.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 37.3 mt-30 -87.01 -21.43 26.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 15.0 pt-20 -76.03 -48.17 22.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.544 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 6.0 pt20 -45.43 -29.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 33.6 m-85 -72.84 158.95 34.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' ILE . 67.1 p -138.14 156.89 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.2 p -41.52 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' THR . 22.9 mm -76.55 -69.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -47.44 -39.7 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mm -70.33 -36.5 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -57.55 -65.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -45.67 -61.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.7 mtm -43.47 -35.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.6 mtp -78.3 -46.19 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -42.73 -42.88 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LYS . 13.9 mt-10 -84.77 -54.17 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' GLU . 43.9 tptt -37.01 -52.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -114.18 87.73 13.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 2.19 3.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.299 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.72 -56.99 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.52 17.35 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p 46.14 27.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 -28.58 10.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.756 HD22 HD11 ' A' ' 10' ' ' LEU . 28.4 tp -40.95 -53.12 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.12 52.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.507 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' HD21 ' A' ' 29' ' ' LEU . 7.5 tppt? -56.86 -40.7 76.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.2 tm? -68.62 -50.67 49.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mt -42.13 -57.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -50.93 -45.99 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.55 -28.17 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 79' ' ' ALA . 5.1 m -83.26 -16.24 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.41 -43.99 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.41 -14.24 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.654 HG12 ' H ' ' A' ' 74' ' ' ALA . 15.4 t -110.36 120.41 44.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.9 -6.42 18.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.654 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -102.0 -7.54 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.1 mt -117.89 -13.56 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -54.23 -23.0 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -66.21 -42.91 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -78.97 -37.52 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . . . -45.1 -60.64 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -52.5 -41.89 63.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.87 -38.27 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.403 HD23 ' OE2' ' A' ' 85' ' ' GLU . 49.9 mt -70.46 -31.86 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.28 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -66.01 -54.6 23.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.999 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 86' ' ' ARG . 11.9 pt-20 -60.42 -40.22 90.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' GLU . 27.7 ttt180 -36.95 -58.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -66.34 142.24 57.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -115.82 -45.93 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.5 t -85.91 -35.79 20.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -44.33 148.0 1.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.427 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 138.11 36.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.7 p -135.86 167.82 20.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.818 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.8 p -142.04 136.1 29.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.214 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -139.12 150.11 45.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -122.28 144.32 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.77 -54.24 0.21 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -99.35 130.11 45.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 m -116.3 43.06 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.89 69.32 0.38 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.0 mt -90.13 142.99 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -135.73 145.11 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -46.45 -21.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -87.78 -38.29 15.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LEU . 22.1 ttt85 -46.7 -25.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.47 -25.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ARG . 23.9 mt -89.22 -61.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -48.07 -41.8 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.8 t -45.54 -56.21 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 21.0 pt -71.17 143.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -73.18 153.59 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -41.34 -33.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -49.11 -61.1 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' HA ' HD13 ' A' ' 24' ' ' LEU . 17.9 m-85 -69.84 -45.36 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 27.9 t80 -45.9 -42.09 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -55.9 -37.19 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.0 mp -67.67 -46.73 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.0 t80 -53.18 -45.52 68.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ALA . 31.3 mtmt -57.4 -35.38 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.7 t -70.06 -35.35 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 25' ' ' PHE . 8.3 mt -74.45 -25.45 59.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -99.82 -21.95 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.95 -51.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.22 -51.44 68.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -61.48 -62.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.544 HD21 ' HG2' ' A' ' 52' ' ' MET . 21.9 mt -74.17 3.93 6.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.413 ' CA ' ' O ' ' A' ' 30' ' ' ALA . 25.9 t30 43.59 44.71 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.76 173.88 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 40' ' ' GLN . 4.5 mm-40 -111.8 108.26 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' GLU . 85.7 mtt180 -35.92 -41.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -42.92 69.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 23.2 t-20 -91.32 6.87 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 26.1 mt-30 -74.57 -15.56 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' GLN . 7.8 pt-20 -94.58 -55.36 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.508 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 6.4 pt20 -54.31 -40.15 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 1.6 m-85 -38.8 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.7 p -120.58 152.11 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.4 p -45.31 -29.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.98 -65.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -41.13 -53.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.66 -39.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.66 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' MET . 61.1 m-80 -43.97 -67.36 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' ASN . 14.2 mtm -36.9 -41.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.544 ' HG2' HD21 ' A' ' 33' ' ' LEU . 72.9 mtp -72.54 -57.78 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -38.4 -35.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.84 -45.77 10.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 38.7 tptt -52.57 -42.4 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -127.75 84.26 63.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -0.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.81 -51.46 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.27 -12.65 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.7 p 47.63 29.13 1.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.77 -23.8 21.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.4 tp -45.1 -65.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -54.06 -60.74 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG2' HD11 ' A' ' 29' ' ' LEU . 1.8 tppt? -44.65 -40.88 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.788 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tm? -72.15 -41.31 67.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.538 HD12 ' HA2' ' A' ' 63' ' ' GLY . 56.7 mt -49.48 -55.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.196 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.72 -44.53 69.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -52.08 -34.59 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.8 m -76.81 -41.63 43.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.77 -60.19 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 72' ' ' VAL . 4.3 pt-20 -39.86 -41.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 75' ' ' LEU . 2.4 t -88.72 130.09 46.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -21.66 33.38 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.709 2.272 . . . . 0.0 112.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -5.92 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.5 HD12 HG21 ' A' ' 72' ' ' VAL . 90.7 mt -114.72 -17.01 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -51.5 -25.8 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -62.6 -37.0 84.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -78.16 -49.0 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.09 -65.74 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 20.0 pt-20 -44.27 -51.85 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 80' ' ' GLU . 74.8 mt -55.27 -49.88 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.82 -60.39 3.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -46.2 -43.28 15.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 14.5 tmtt? -47.8 -48.64 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -81.5 -23.71 37.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -54.13 -55.43 27.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -115.4 148.78 38.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' SER . 7.8 pt-20 -106.35 93.22 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' GLU . 2.6 m 34.64 38.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.9 -175.02 50.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 -17.06 37.26 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.651 2.234 . . . . 0.0 112.271 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -63.57 -60.63 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.4 p -57.87 -53.12 61.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -79.23 84.8 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 60.49 38.99 18.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.65 -147.08 21.86 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 m 40.9 51.32 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -89.47 42.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.43 50.27 3.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.8 mt -73.19 129.23 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.4 151.69 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.73 HD23 HD22 ' A' ' 62' ' ' LEU . 11.1 mp -50.81 -29.97 13.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -65.49 -33.94 77.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -55.57 -16.04 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.4 -29.12 30.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.47 -50.6 9.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.1 -35.69 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 m -46.43 -57.72 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 pt -67.17 144.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' HIS . 50.6 m-80 -71.24 143.23 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' ASN . 44.4 mmtm -36.56 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' ASN . 41.8 t60 -55.19 -57.58 11.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.437 ' HA ' HD13 ' A' ' 24' ' ' LEU . 14.6 m-85 -67.95 -43.01 80.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 21.9 t80 -45.93 -39.63 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -57.27 -39.97 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.0 mp -66.55 -43.52 84.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.82 -44.27 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 28.2 mtmt -61.43 -21.79 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.5 t -72.5 -45.7 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.29 -28.48 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.645 HD11 ' HE2' ' A' ' 64' ' ' LYS . 2.9 mm? -89.6 -27.6 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -36.83 -46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.6 -53.0 61.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -65.39 -63.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 51' ' ' MET . 22.1 mt -61.2 -22.34 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 74.81 27.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.16 177.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.7 mm-40 -63.08 148.81 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' NE ' ' HB3' ' A' ' 38' ' ' ASP . 3.0 ppt_? -64.91 -37.39 87.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 4.8 t70 -134.02 -34.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -76.44 49.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 9.0 mt-30 -86.44 -35.86 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -44.36 -39.41 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 8.1 pt20 -50.09 -41.11 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -62.06 140.91 58.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.6 p -104.82 -174.78 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 p -74.17 -28.17 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.8 mt -74.58 -70.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 46' ' ' ILE . 67.8 mt-30 -33.6 -57.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.9 mm -55.15 -43.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.45 -47.02 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' GLU . 37.4 m-80 -62.94 -64.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.407 ' HB3' HD22 ' A' ' 33' ' ' LEU . 22.4 mtm -39.58 -39.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.453 ' HE2' ' HA2' ' A' ' 61' ' ' GLY . 32.2 mtp -74.41 -35.45 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASN . 6.5 mt-10 -58.45 -36.87 74.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 50' ' ' ASN . 1.7 pm0 -92.31 -33.7 14.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 17.6 tptm -66.88 -59.96 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -113.67 84.06 7.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.66 10.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.73 -57.99 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.6 -1.76 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.6 m 54.49 30.81 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.453 ' HA2' ' HE2' ' A' ' 52' ' ' MET . . . 100.99 -27.43 20.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.73 HD22 HD23 ' A' ' 10' ' ' LEU . 13.9 tp -38.96 -63.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.34 5.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.562 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.645 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.44 -38.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.2 tm? -68.98 -53.8 18.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.496 HD13 ' HG2' ' A' ' 83' ' ' LYS . 51.3 mt -42.12 -54.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.28 -56.31 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -40.41 -45.25 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.711 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 90.6 m -61.95 -53.45 55.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' CYS . 17.6 mt-10 -37.01 -58.43 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -45.66 -47.69 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.651 HG12 ' H ' ' A' ' 74' ' ' ALA . 13.2 t -84.69 120.34 73.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.37 6.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.651 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -105.62 -7.75 18.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.4 mt -116.07 -17.73 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -42.68 -43.69 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -54.66 -40.04 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.15 -40.66 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -51.88 -66.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.468 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.9 pt-20 -45.96 -52.07 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.5 mt -49.21 -36.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.02 -24.65 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HG2' HD13 ' A' ' 66' ' ' ILE . 30.3 mtmt -80.7 -41.36 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -46.33 -37.73 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -82.95 -45.41 14.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -48.74 -43.78 37.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -88.06 111.18 21.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 89' ' ' SER . 32.5 mt-10 -126.98 90.72 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 88' ' ' GLU . 3.4 m 34.57 43.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.85 -176.8 8.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.71 -1.54 8.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.609 2.206 . . . . 0.0 112.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' PRO . 49.1 m -37.79 121.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -108.62 140.8 41.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -140.92 135.73 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -58.58 126.14 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.49 129.94 9.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.415 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -132.85 101.56 5.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.814 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -66.83 -50.43 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . 82.81 -36.27 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 95.6 mt -37.27 135.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 111.117 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 p -145.15 144.14 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.84 HD23 ' HB2' ' A' ' 62' ' ' LEU . 6.0 mp -38.49 -33.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.992 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -56.07 -54.91 39.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . 28.3 ttt-85 -35.15 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -36.06 -31.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ARG . 38.4 mt -84.94 -57.04 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -49.21 -44.48 43.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.9 t -39.14 -61.78 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.485 HG22 HD22 ' A' ' 75' ' ' LEU . 30.9 pt -65.63 146.83 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 19' ' ' LYS . 3.1 m120 -79.45 150.34 31.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 2.1 mptm? -35.71 -46.09 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -40.36 -61.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.618 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 22.0 m-85 -69.51 -44.15 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 19.7 t80 -42.33 -44.28 3.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -53.54 -42.24 67.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.85 -43.69 82.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 35.8 t80 -55.01 -47.05 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.975 0.417 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 38.9 mtmt -59.72 -34.53 73.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -39.83 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.69 -34.62 74.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.529 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.5 mm? -86.47 -25.57 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -33.8 -49.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.83 -51.39 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 53.8 m-20 -63.69 -61.38 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.795 HD22 ' HB3' ' A' ' 51' ' ' MET . 26.0 mt -73.91 4.03 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 m120 42.63 47.4 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.09 -176.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 39' ' ' ASN . 4.5 mt-10 -82.93 -173.89 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.76 8.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -26.77 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.596 ' OD1' ' CE2' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -77.1 -5.87 50.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 19.6 mt-30 -61.99 -9.7 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -88.01 -61.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.531 ' CD ' ' ND2' ' A' ' 39' ' ' ASN . 7.2 pt20 -44.76 -47.68 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.596 ' CE2' ' OD1' ' A' ' 39' ' ' ASN . 2.3 m-85 -35.23 152.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -125.62 159.27 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.6 p -42.3 -26.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' A' ' 46' ' ' ILE . 18.5 mm -74.86 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -46.76 -43.63 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.91 -32.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.992 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.14 -67.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -38.47 -65.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.795 ' HB3' HD22 ' A' ' 33' ' ' LEU . 13.6 mtm -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.3 mtp -70.08 -43.09 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -51.62 -41.77 61.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -79.49 -38.92 33.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.768 ' HG3' HD23 ' A' ' 33' ' ' LEU . 16.5 mmtm -58.71 -52.05 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.34 84.46 56.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 0.23 5.96 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.67 2.246 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.54 -54.75 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -108.59 -11.04 15.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 p 59.05 29.52 19.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.93 -7.05 81.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' A' ' 10' ' ' LEU . 8.6 tp -50.96 -51.2 54.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.57 -49.45 64.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HG2' HD21 ' A' ' 29' ' ' LEU . 1.5 tptm -49.42 -43.28 44.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 1.9 tm? -66.2 -59.82 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' LEU . 49.5 mt -34.39 -59.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -48.96 -57.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -41.04 -40.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 58.5 m -68.35 -51.22 46.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HA ' ' CG ' ' A' ' 76' ' ' ARG . 19.2 mm-40 -42.75 -50.41 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -51.39 -45.77 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.704 HG12 ' H ' ' A' ' 74' ' ' ALA . 20.4 t -86.99 123.76 69.81 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.642 0.734 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.704 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -108.48 0.54 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 HG22 ' A' ' 17' ' ' ILE . 93.4 mt -124.18 -17.1 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 6.1 mtt-85 -50.93 -32.7 21.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -53.2 -42.96 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -77.62 -42.14 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -42.32 -65.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.434 ' C ' ' OE1' ' A' ' 80' ' ' GLU . 0.9 OUTLIER -49.68 -43.76 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.84 -46.38 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.34 -45.83 92.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -55.66 -30.45 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -64.09 -36.07 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' ARG . 29.9 mt-10 -88.42 -36.62 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HB2' HD21 ' A' ' 62' ' ' LEU . 53.9 ttt180 -35.88 -52.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.3 m -83.23 105.87 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -120.84 -16.2 8.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.5 p -130.77 -0.35 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -118.68 -174.24 16.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 136.23 32.44 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 p -125.25 -42.89 1.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.5 m -51.15 -47.14 62.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -75.68 130.21 38.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -78.19 137.94 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.69 141.26 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -122.46 120.93 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.829 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 8' ' ' ILE . 3.2 t -103.92 -56.65 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . 87.31 -60.75 4.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.4 mp -34.92 141.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 11' ' ' LEU . 3.2 p -169.36 151.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 62' ' ' LEU . 23.6 mt -44.08 -33.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.082 HD11 ' HB1' ' A' ' 49' ' ' ALA . 7.0 tt -56.39 -39.89 73.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -38.94 -28.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -41.65 -35.51 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.99 -65.03 0.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -49.78 -20.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.57 -53.3 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.426 HD12 ' CA ' ' A' ' 22' ' ' PHE . 7.5 pt -72.72 140.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.188 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -67.88 160.56 28.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -48.47 -22.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -60.21 -62.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.421 ' HA ' HD13 ' A' ' 24' ' ' LEU . 9.7 m-85 -71.33 -39.67 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CA ' HD12 ' A' ' 17' ' ' ILE . 25.3 t80 -48.93 -45.74 42.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -48.12 -44.26 31.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.1 mp -60.52 -58.94 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 28' ' ' LEU . 13.8 t80 -40.99 -49.17 3.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 35' ' ' LEU . 40.1 mtmt -54.36 -40.01 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -68.52 -37.7 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' PHE . 15.3 mt -71.41 -26.41 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' HG2' ' A' ' 64' ' ' LYS . 3.9 mm? -96.89 -14.84 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . . . -42.2 -38.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -70.9 -51.39 26.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.01 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 52' ' ' MET . 69.1 mt -63.53 -20.52 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.7 t30 69.78 37.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 43' ' ' TYR . 21.1 mt -68.02 170.94 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' ASP . 14.3 mt-10 -88.91 98.36 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 73.7 mtm180 -33.09 -34.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -94.18 -55.16 3.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 2.4 t-20 -83.32 45.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.566 ' NE2' ' HB2' ' A' ' 30' ' ' ALA . 16.5 mt-30 -87.32 -10.11 53.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 42' ' ' GLN . 3.2 pp20? -80.2 -47.15 15.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 8.5 pt20 -44.83 -30.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 35' ' ' LEU . 23.6 m-85 -74.5 150.56 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.969 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -129.96 168.39 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -50.88 -26.66 6.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.32 -68.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -45.93 -46.19 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.983 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.84 -37.94 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.082 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -58.54 -62.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -46.42 -57.62 4.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.425 ' HB3' HD22 ' A' ' 33' ' ' LEU . 14.0 mtm -43.69 -45.67 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.499 ' HG2' HD21 ' A' ' 33' ' ' LEU . 55.3 mtp -67.33 -52.17 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -43.1 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -96.15 -40.93 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 21.0 tptp -56.98 -58.83 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -109.65 84.63 3.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 110.816 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -1.02 7.77 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.02 -55.76 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -117.5 -9.81 10.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.6 m 62.93 30.4 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.78 -18.55 49.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 10' ' ' LEU . 12.6 tp -41.25 -46.85 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.94 -59.63 4.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.484 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' LEU . 10.9 tptp -42.32 -36.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 82' ' ' LEU . 3.5 tm? -70.83 -56.17 6.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.467 HD13 ' HG2' ' A' ' 83' ' ' LYS . 36.2 mt -40.81 -55.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -51.2 -50.86 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -51.84 -32.37 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.421 ' CB ' ' HB3' ' A' ' 75' ' ' LEU . 64.6 m -81.87 -29.87 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.21 -47.32 77.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 72' ' ' VAL . 7.9 pt-20 -54.11 -29.98 46.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.2 t -97.7 130.01 30.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -14.17 35.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.17 -16.58 22.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 69' ' ' CYS . 86.1 mt -104.32 -25.69 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -41.34 -33.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -61.7 -42.98 99.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 81' ' ' ILE . 33.6 mmt180 -73.43 -43.09 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 66' ' ' ILE . . . -43.72 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 10.7 pt-20 -47.48 -48.27 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 78' ' ' ARG . 91.8 mt -53.53 -36.94 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 65' ' ' LEU . 37.4 mt -74.02 -21.82 59.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 80' ' ' GLU . 35.8 mtmt -77.8 -42.54 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -43.28 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.51 -40.52 57.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -42.68 -52.18 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -88.47 149.07 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.62 83.77 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t 39.34 41.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.75 153.0 16.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.56 65.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.373 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.2 m -157.3 162.7 39.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 p -87.89 -10.38 50.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -81.69 156.04 25.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 0.0 110.805 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -73.53 136.79 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.04 -106.77 3.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.8 p -158.9 156.71 30.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -85.12 42.89 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.91 91.17 1.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.6 mt -125.87 127.77 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.6 t -125.75 148.47 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 62' ' ' LEU . 7.8 tp -55.24 -23.37 22.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.067 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -81.96 -37.24 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -43.18 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -43.92 -29.47 1.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.51 -36.54 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.718 0.294 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.18 -21.25 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' HG23 ' A' ' 17' ' ' ILE . 2.1 p -60.3 -21.5 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.515 HG23 ' SG ' ' A' ' 16' ' ' CYS . 15.6 pt -119.84 158.98 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.1 t-20 -104.63 166.5 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 2.6 tmtm? -36.04 -41.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -45.2 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' CD2' HD21 ' A' ' 75' ' ' LEU . 9.4 m-85 -63.11 -37.01 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CD2' ' HE2' ' A' ' 26' ' ' LYS . 6.1 t80 -50.35 -43.07 54.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -52.92 -34.9 57.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.3 mp -73.89 -41.34 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 17.1 t80 -62.51 -44.69 95.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HE2' ' CD2' ' A' ' 22' ' ' PHE . 47.6 mtmt -61.62 -29.4 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.5 t -66.44 -44.74 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.3 mm? -90.02 -21.25 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -36.65 -50.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.2 -56.42 22.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 51' ' ' MET . 78.2 mt -68.99 -3.36 12.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ALA . 3.6 t-20 51.35 41.22 27.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 26' ' ' LYS . 44.8 mt -63.92 163.52 11.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 1.3 mp0 -92.1 98.13 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -35.01 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -89.18 -42.73 11.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.9 m120 -97.48 40.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.25 -26.85 23.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 19' ' ' LYS . 49.7 mt-10 -75.16 -43.01 54.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -50.48 -20.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -77.84 167.44 21.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -145.21 163.03 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.7 p -45.06 -27.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.74 -69.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.17 -44.61 10.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mm -65.69 -41.27 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.067 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -52.81 -61.48 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -48.62 -54.37 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.694 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.5 mtm -44.08 -42.15 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.8 mtp -74.1 -50.9 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -38.6 -43.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.92 -53.81 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 15.4 tptp -53.78 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -107.38 82.58 1.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.697 0.761 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 54.5 Cg_endo -69.77 -7.78 21.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.63 2.22 . . . . 0.0 112.4 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -58.99 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.505 ' O ' HD11 ' A' ' 10' ' ' LEU . 42.0 m-20 -124.55 1.13 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m 57.53 26.63 12.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.18 -32.63 7.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HB2' HD12 ' A' ' 10' ' ' LEU . 10.8 tp -41.0 -44.94 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.11 -67.63 1.83 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' HD11 ' A' ' 29' ' ' LEU . 15.4 tptp -38.81 -32.95 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.472 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.9 tm? -73.42 -57.98 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LEU . 54.5 mt -33.93 -52.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -53.66 -52.47 59.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -45.36 -40.69 8.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 80.0 m -65.06 -41.75 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -44.92 -50.52 10.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -53.78 -46.73 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 74' ' ' ALA . 15.9 t -83.41 121.93 76.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -23.84 30.06 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.701 2.268 . . . . 0.0 112.3 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -81.79 -21.61 37.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 21' ' ' TYR . 52.7 mt -95.61 -29.78 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' LEU . 39.9 mtp180 -38.32 -35.68 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -51.23 -48.98 61.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 81' ' ' ILE . 23.4 mmt180 -72.09 -41.26 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -43.51 -66.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 14.3 pt-20 -48.86 -41.14 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 78' ' ' ARG . 69.7 mt -61.14 -42.46 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.73 -44.76 96.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.68 -46.24 84.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -44.77 -52.85 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.66 -51.28 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -38.4 -48.49 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -72.38 96.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -109.1 -37.94 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.6 m -97.6 -51.56 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.73 -178.76 24.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.4 Cg_endo -69.69 2.73 3.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 91' ' ' PRO . 58.5 m -34.51 111.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 t -71.66 -40.15 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p 41.83 41.99 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -109.4 133.54 52.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.0 118.5 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -132.93 153.03 51.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -110.3 40.16 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.01 47.54 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.529 HG23 ' CD ' ' A' ' 12' ' ' ARG . 5.3 mp -104.25 137.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.546 HG22 ' N ' ' A' ' 10' ' ' LEU . 11.2 p -165.39 164.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.826 HD13 HD22 ' A' ' 62' ' ' LEU . 24.3 mt -49.46 -32.89 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.88 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -56.37 -43.35 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' CD ' HG23 ' A' ' 8' ' ' ILE . 7.6 ptt85 -42.11 -25.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -38.51 -27.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' ARG . 79.0 mt -84.61 -58.42 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -48.27 -30.6 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.06 -59.7 4.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -67.38 152.14 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 36.7 p30 -85.63 148.81 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 40.6 mmtt -35.52 -34.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.1 t60 -51.46 -57.02 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.553 ' HA ' HD13 ' A' ' 24' ' ' LEU . 17.3 m-85 -73.44 -48.94 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -41.63 -47.11 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -48.64 -41.83 32.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.9 mp -63.35 -55.93 20.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.705 ' HA ' HD12 ' A' ' 28' ' ' LEU . 6.1 t80 -43.53 -47.13 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -56.74 -46.94 81.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -56.01 -30.56 62.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 25' ' ' PHE . 8.0 mt -80.76 -53.11 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.1 mm? -67.94 -19.25 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 35' ' ' LEU . . . -35.57 -53.13 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -53.69 -61.43 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.29 -63.3 1.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 29' ' ' LEU . 95.2 mt -59.62 -15.62 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 30' ' ' ALA . 64.6 t30 64.88 37.22 7.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 30' ' ' ALA . 11.6 mt -67.15 159.45 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ASP . 4.0 mm-40 -86.93 110.61 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -34.26 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' GLU . 13.5 t0 -93.42 -57.07 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.41 ' HB3' ' CD ' ' A' ' 42' ' ' GLN . 10.3 m120 -81.32 47.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mt-30 -86.7 -48.42 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' TYR . 5.1 pt-20 -70.01 -39.44 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.41 ' CD ' ' HB3' ' A' ' 39' ' ' ASN . 3.8 pt20 -45.06 -21.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' GLU . 29.6 m-85 -72.45 164.52 26.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' THR . 69.0 p -122.17 145.74 47.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . 40.0 p -35.52 -35.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.8 mp -69.03 -69.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -43.27 -40.78 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.09 -39.8 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.88 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -67.0 -57.27 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.56 ' ND2' HG22 ' A' ' 46' ' ' ILE . 51.4 m-80 -44.96 -56.66 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.444 ' CB ' HD22 ' A' ' 33' ' ' LEU . 20.1 mtm -51.51 -35.24 39.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.434 ' CG ' HD21 ' A' ' 33' ' ' LEU . 78.5 mtp -75.68 -37.39 59.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.49 -36.37 71.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.42 -46.13 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -49.81 -56.84 8.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.59 83.46 4.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.688 0.756 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.85 4.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.56 -55.55 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -109.25 -12.79 14.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m 61.04 31.05 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.51 -10.64 70.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.826 HD22 HD13 ' A' ' 10' ' ' LEU . 34.6 tp -54.59 -47.07 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.27 -54.97 11.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.549 ' HG2' HD11 ' A' ' 29' ' ' LEU . 14.8 tptp -49.73 -35.96 23.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -73.85 -49.19 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.461 HG23 ' HB1' ' A' ' 79' ' ' ALA . 15.7 mt -48.18 -51.44 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.49 -42.51 74.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -57.83 -33.61 68.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 77.8 m -74.16 -37.51 63.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.61 -48.93 79.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.597 ' HG3' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -48.52 -27.84 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.597 HG23 ' HG3' ' A' ' 71' ' ' GLU . 2.2 t -102.78 130.5 23.71 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -20.19 35.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.89 -0.61 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 72' ' ' VAL . 96.7 mt -122.59 -23.28 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -53.08 -38.13 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.26 -41.86 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -55.65 -53.94 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.92 -33.57 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.62 -35.52 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 79' ' ' ALA . 11.5 mt -70.54 -39.38 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -56.76 -47.57 79.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -43.82 -51.08 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.81 -43.85 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -44.34 -40.4 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.8 p -102.38 141.4 35.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -109.76 -56.08 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.5 m -75.4 -49.79 17.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.52 146.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.72 -4.5 14.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 91' ' ' PRO . 9.5 m -34.55 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -152.83 142.67 22.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.572 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -142.96 176.27 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.872 0.367 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -46.21 165.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.48 -156.87 1.62 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -145.94 137.38 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -128.35 43.57 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.38 58.43 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -103.14 136.38 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 10' ' ' LEU . 14.6 p -165.1 161.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.731 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.3 mp -47.21 -34.62 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.544 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -62.64 -46.34 88.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.1 ttt85 -40.99 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -42.74 -23.0 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ARG . 69.0 mt -85.6 -45.47 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.16 -36.33 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.75 -59.37 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.711 HG22 HD22 ' A' ' 75' ' ' LEU . 24.0 pt -63.07 150.44 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 19' ' ' LYS . 32.4 m-80 -71.59 136.31 47.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 18' ' ' ASN . 13.4 mmtp -34.3 -42.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -48.05 -49.52 31.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' HA ' HD13 ' A' ' 24' ' ' LEU . 24.0 m-85 -71.4 -45.01 63.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 28.8 t80 -41.68 -43.32 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 t -54.07 -39.44 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.9 mp -66.62 -44.15 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -55.34 -42.91 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 35' ' ' LEU . 40.7 mtmt -61.04 -24.87 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t -74.71 -49.04 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -25.08 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.3 mm? -98.35 -19.02 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.29 -37.93 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.5 -48.93 36.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.57 -63.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 51' ' ' MET . 69.1 mt -67.78 -11.09 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 59.1 48.59 10.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.718 HD22 ' CD2' ' A' ' 43' ' ' TYR . 29.1 mt -75.54 164.31 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' ASN . 19.2 mt-10 -89.44 98.39 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.3 ptp180 -41.27 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.8 t70 -95.16 -33.44 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.5 t-20 -112.52 47.0 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -85.12 -10.64 56.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.32 -48.66 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.453 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 3.6 pt20 -45.61 -35.22 3.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.718 ' CD2' HD22 ' A' ' 35' ' ' LEU . 38.5 m-85 -69.22 123.3 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.9 p -99.04 -174.77 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 19.5 p -69.42 -15.42 63.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.0 mt -88.07 -70.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' ILE . 75.6 mt-30 -36.07 -47.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.4 mm -63.13 -40.62 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -57.33 -45.19 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.661 ' HB3' HD22 ' A' ' 33' ' ' LEU . 15.3 mtm -45.71 -38.47 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.7 mtp -71.91 -46.54 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -48.44 -32.77 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.38 -45.99 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HG3' HD23 ' A' ' 33' ' ' LEU . 24.8 mmmt -53.51 -51.83 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.63 83.85 35.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.69 1.38 4.44 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.2 -55.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -7.99 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m 52.63 27.31 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.88 19.4 53.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 10' ' ' LEU . 15.5 tp -78.39 -71.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.7 -58.07 6.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -43.84 -35.75 2.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.6 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -78.83 -47.01 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.971 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 62' ' ' LEU . 58.0 mt -46.61 -53.93 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.1 -47.55 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -49.0 -32.04 8.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.84 -37.28 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLU . 21.8 mm-40 -56.33 -62.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 10.7 pt-20 -36.77 -39.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.79 130.15 39.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.667 0.746 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.93 32.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.765 2.31 . . . . 0.0 112.296 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.09 53.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 HG22 ' A' ' 17' ' ' ILE . 90.3 mt -114.11 -17.0 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -46.73 -55.47 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -45.67 -32.8 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.418 HH11 ' CA ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.89 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.69 -27.48 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.2 mt -79.9 -47.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.58 -27.43 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -78.87 -51.92 9.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -63.46 -35.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 86' ' ' ARG . 4.1 tp10 -79.29 -38.8 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' GLU . 35.8 ttt180 -36.92 -55.43 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.3 m -68.15 135.44 52.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.51 -50.96 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 t -120.99 44.52 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -129.77 -161.88 10.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 95.36 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.388 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 t -170.84 149.46 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.8 p -123.77 161.13 25.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t -122.46 98.38 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -115.08 170.27 8.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.56 -121.59 1.03 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m 53.61 43.91 30.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -111.49 78.73 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.61 58.82 0.6 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mt -103.42 129.52 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 12' ' ' ARG . 13.5 p -111.42 148.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.694 ' H ' HD12 ' A' ' 10' ' ' LEU . 2.3 mp -40.05 -28.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.758 HD11 ' HB1' ' A' ' 49' ' ' ALA . 3.2 tt -73.25 -42.34 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' VAL . 16.0 mmt180 -44.46 -25.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.02 -24.09 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.06 -64.38 1.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -48.62 -31.54 6.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.65 -51.14 61.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.478 HG22 HD22 ' A' ' 75' ' ' LEU . 17.6 pt -76.34 150.71 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' LYS . 69.4 m-80 -79.92 144.98 32.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' ASN . 21.5 mmtp -34.81 -43.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -41.43 -62.58 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 10.4 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -44.88 -39.6 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -56.27 -36.13 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.31 -48.08 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 65' ' ' LEU . 24.4 t80 -50.93 -47.3 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.1 mtmt -58.37 -41.05 83.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -60.98 -42.43 98.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' A' ' 68' ' ' PHE . 17.6 mt -66.13 -42.84 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD11 ' HG2' ' A' ' 64' ' ' LYS . 4.4 mm? -79.74 -21.31 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -34.46 -54.89 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -49.67 -62.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.92 -10.81 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.7 m-20 55.09 32.03 17.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.78 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -77.49 175.28 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -83.27 -49.25 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.75 -17.08 10.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 36' ' ' GLU . 4.3 m120 -86.42 36.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -84.23 -36.58 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -75.82 -37.97 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -54.26 -15.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -76.92 168.2 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -119.69 -174.83 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.1 p -78.46 -23.06 46.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.0 mt -78.4 -70.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 46' ' ' ILE . 31.5 mt-30 -33.88 -55.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.11 -42.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.758 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -51.24 -63.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -47.66 -62.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.7 mtm -41.15 -42.87 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.3 mtp -67.66 -49.28 63.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.92 -44.07 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -81.65 -44.97 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 36.4 tptt -49.83 -64.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -108.86 83.41 2.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.47 3.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.272 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.73 -52.59 5.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.54 -2.35 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.6 m 53.92 25.13 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.23 -21.95 41.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.496 HD22 HD23 ' A' ' 10' ' ' LEU . 26.3 tp -39.17 -57.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.364 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.94 -65.42 3.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.676 ' HG2' HD11 ' A' ' 29' ' ' LEU . 21.4 tptt -40.01 -38.02 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 2.5 tm? -71.01 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' LEU . 53.4 mt -35.7 -53.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -53.26 -54.48 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 28' ' ' LEU . 31.1 t80 -44.13 -40.2 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 81.0 m -68.19 -48.31 65.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -40.79 -48.32 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.07 -45.82 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 74' ' ' ALA . 25.8 t -82.62 120.71 77.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -0.59 7.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.292 . . . . 0.0 112.333 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.729 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -103.44 -13.89 16.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 HG22 ' A' ' 17' ' ' ILE . 90.7 mt -111.24 -11.26 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -51.99 -49.32 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -52.24 -29.9 25.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -84.83 -41.24 16.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.629 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.44 -56.23 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -37.96 63.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.48 -39.49 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 79' ' ' ALA . 12.5 mt -65.52 -16.21 63.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -91.07 -35.75 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -56.33 -50.62 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.74 -30.37 59.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' SER . 24.3 ttp85 -45.98 -50.91 14.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ARG . 19.9 p -35.55 142.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.92 -42.23 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 m -117.49 -21.51 8.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.55 -158.24 22.7 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 92' ' ' SER . 54.9 Cg_endo -69.74 1.54 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.408 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 91' ' ' PRO . 1.4 m -35.14 135.86 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -55.5 156.88 4.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.404 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' SER . 34.3 t 59.24 43.56 16.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.8 t 34.72 41.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.15 -115.53 1.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -106.5 159.34 16.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.907 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 m -121.02 78.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.79 47.18 3.38 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.468 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mm -75.83 132.56 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.19 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 11' ' ' LEU . 21.2 t -130.49 138.83 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -58.63 -16.46 16.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 49' ' ' ALA . 5.9 tp -90.97 -25.57 19.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -41.79 -23.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -46.96 -38.89 10.8 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.8 -60.03 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.55 -32.71 67.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' SG ' ' NE ' ' A' ' 78' ' ' ARG . 48.3 t -48.06 -59.07 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.626 HG22 HD22 ' A' ' 75' ' ' LEU . 26.1 pt -68.15 133.88 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 148.67 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -41.56 -33.35 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -52.4 -54.54 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' HA ' HD13 ' A' ' 24' ' ' LEU . 33.2 m-85 -71.92 -48.59 44.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 17.5 t80 -39.14 -48.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -49.48 -47.57 48.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 21' ' ' TYR . 4.9 mp -55.38 -54.92 37.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.51 -46.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.22 -41.7 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -61.69 -34.58 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.03 -44.31 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 33' ' ' LEU . 3.1 mm? -75.02 -23.89 58.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.45 -43.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -62.21 -59.05 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 50.5 m-20 -62.1 -61.99 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 29' ' ' LEU . 86.4 mt -63.67 -14.06 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 32' ' ' ASP . 51.5 m-80 59.18 40.11 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 43' ' ' TYR . 14.3 mt -67.23 177.28 1.88 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLN . 19.8 mt-10 -104.41 104.92 14.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' N ' ' OE1' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -52.66 -20.77 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -102.9 -13.16 17.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' OD1' ' CD ' ' A' ' 42' ' ' GLN . 2.6 t-20 -132.98 30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' GLU . 6.6 mt-30 -86.97 -12.54 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.8 -26.78 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' CD ' ' OD1' ' A' ' 39' ' ' ASN . 2.6 pt20 -74.1 -38.46 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CD2' HD22 ' A' ' 35' ' ' LEU . 18.3 m-85 -58.17 115.25 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -91.56 172.75 8.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.7 p -53.48 -30.57 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.0 mp -75.75 -64.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -47.57 -36.75 11.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 43' ' ' TYR . 25.3 mm -73.38 -36.54 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -68.1 -60.23 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.515 ' ND2' HG22 ' A' ' 46' ' ' ILE . 50.9 m-80 -41.51 -51.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 mtm -53.38 -54.27 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.3 mtp -57.09 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -44.96 -25.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.29 -49.55 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' HD23 ' A' ' 33' ' ' LEU . 16.8 mmmt -46.76 -61.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -107.15 84.17 1.59 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 54.2 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.34 -57.9 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.58 -8.51 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m 63.66 27.65 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.17 -7.54 81.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.569 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -49.66 -60.55 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 66' ' ' ILE . . . -53.6 -56.84 18.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.94 -40.08 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.61 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.0 tm? -70.63 -44.18 67.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HA2' ' A' ' 63' ' ' GLY . 35.5 mt -51.38 -55.66 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -52.53 -47.91 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -52.56 -35.89 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 66.9 m -76.9 -26.52 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.68 -59.58 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -40.64 -34.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 74' ' ' ALA . 2.5 t -94.05 127.94 43.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.74 37.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -91.56 -15.75 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD22 HG22 ' A' ' 17' ' ' ILE . 59.2 mt -107.79 -17.66 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -47.62 -54.09 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -46.83 -28.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NE ' ' SG ' ' A' ' 16' ' ' CYS . 17.1 tpp180 -82.63 -44.78 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -52.26 -51.9 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -28.97 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.7 mt -77.93 -33.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 79' ' ' ALA . 25.3 mt -69.52 -38.71 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LYS . 45.9 mttm -62.05 -56.44 18.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' LYS . 16.1 tptp -35.24 -50.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.11 -47.57 70.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' SER . 73.1 ttt-85 -50.11 -76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 86' ' ' ARG . 1.0 OUTLIER 30.92 38.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.794 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 86' ' ' ARG . 2.2 pt-20 -103.59 96.65 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 p 60.23 25.02 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.22 160.86 42.73 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.94 2.12 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -125.49 41.22 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -140.38 166.68 24.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 68.26 38.41 2.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -139.0 119.67 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.95 160.73 24.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -122.43 174.06 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -100.6 51.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.42 54.75 0.54 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 9' ' ' VAL . 17.7 mt -103.31 153.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.708 HG12 ' H ' ' A' ' 11' ' ' LEU . 60.4 t -134.63 143.19 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.583 HD13 HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -50.94 -24.02 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.708 ' H ' HG12 ' A' ' 9' ' ' VAL . 11.4 tp -86.93 -32.87 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -43.75 -24.63 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.32 -21.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.59 -64.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -47.37 -31.89 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.64 -57.44 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.8 pt -69.02 152.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' HIS . 11.4 m120 -83.15 154.03 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -41.34 -26.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASN . 18.7 t60 -55.32 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 9.4 m-85 -70.4 -43.11 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 12.9 t80 -47.29 -39.42 14.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -55.49 -41.98 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 21' ' ' TYR . 5.1 mp -63.77 -45.48 89.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -51.95 -47.49 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -59.87 -29.2 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -71.92 -33.99 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.11 -24.42 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -97.04 -19.1 18.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.77 -42.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.95 -50.35 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -69.79 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 51' ' ' MET . 65.2 mt -60.22 -13.08 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 61.85 35.92 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.92 171.29 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' ASP . 1.8 mm-40 -100.76 106.28 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 77.8 mtp180 -34.97 -32.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' GLU . 2.7 p-10 -83.3 -49.1 9.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.796 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.599 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 18.9 m120 -92.99 41.79 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 37' ' ' ARG . 32.9 mt-30 -86.92 -49.72 7.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.03 -42.33 76.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.71 -24.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 30.9 m-85 -69.42 162.93 26.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -111.85 -176.74 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 21.8 p -77.22 -19.89 56.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.2 mt -83.12 -70.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 46' ' ' ILE . 17.6 mt-30 -33.8 -55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.76 -44.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -51.38 -59.43 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.03 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 51' ' ' MET . 42.0 m-20 -46.94 -67.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.732 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.1 mtm -36.57 -45.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 56.3 mtp -67.47 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -38.62 -28.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' MET . 62.5 mm-40 -92.44 -47.79 6.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HG3' HD23 ' A' ' 33' ' ' LEU . 22.8 mmmt -53.9 -44.42 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.94 83.65 62.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -8.25 23.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.62 -58.23 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -100.49 -19.42 16.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m 62.83 30.99 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.15 19.07 58.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.583 HD13 HD13 ' A' ' 10' ' ' LEU . 27.6 tp -80.02 -71.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -46.98 -63.19 3.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -39.44 -38.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.629 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.3 tm? -77.58 -42.67 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.5 mt -51.46 -56.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.86 -43.75 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.56 -31.54 62.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.4 m -78.5 -23.76 46.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.94 -60.44 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.51 -28.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 74' ' ' ALA . 20.5 t -98.25 120.75 58.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.59 2.193 . . . . 0.0 112.382 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.672 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -111.79 -1.15 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.14 -16.9 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -45.17 -60.5 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.86 -28.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' ALA . 7.4 tpt180 -80.45 -56.77 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' ARG . . . -36.59 -65.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 11.9 pt-20 -41.39 -47.91 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.429 ' N ' ' HG3' ' A' ' 80' ' ' GLU . 69.1 mt -58.73 -42.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.96 -37.36 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 33.2 mttt -68.66 -49.51 58.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -37.65 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' LYS . 29.2 mm-40 -95.9 -38.47 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' NE ' ' HG2' ' A' ' 83' ' ' LYS . 17.5 ptt180 -58.12 -31.89 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -137.65 155.26 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.91 -52.76 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.0 t -53.54 -40.98 65.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.05 -176.57 53.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -31.57 20.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -141.07 176.82 8.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.0 p -141.1 134.19 29.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.442 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t -92.4 -57.8 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -87.44 129.4 35.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.54 -115.99 3.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.437 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -93.89 125.91 38.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -63.94 -57.49 9.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.3 42.24 9.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mt -93.93 126.07 46.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 111.166 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.43 150.88 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.672 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -46.43 -30.6 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.54 -41.38 97.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LEU . 18.6 mtp180 -53.67 -21.77 7.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.37 -26.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ARG . 18.2 mt -83.96 -51.52 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.46 -37.52 72.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -44.88 -55.97 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.41 HG22 HD22 ' A' ' 75' ' ' LEU . 14.7 pt -68.95 138.25 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -63.54 156.68 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -53.27 -18.85 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -62.71 -60.28 3.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' HA ' HD13 ' A' ' 24' ' ' LEU . 15.4 m-85 -70.73 -42.9 69.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 45' ' ' THR . 23.0 t80 -43.22 -38.65 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -52.51 -47.05 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.7 mp -58.36 -56.1 26.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HA ' HD12 ' A' ' 28' ' ' LEU . 23.3 t80 -42.31 -49.57 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -58.9 -38.62 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -67.0 -28.96 68.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 25' ' ' PHE . 20.3 mt -79.72 -35.43 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.565 HD21 ' HG2' ' A' ' 64' ' ' LYS . 4.3 mm? -87.95 -22.83 24.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.553 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . . . -34.93 -49.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -53.25 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.22 -63.06 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 51' ' ' MET . 40.6 mt -55.58 -23.57 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' ALA . 7.2 t-20 71.43 35.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.58 169.44 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' ASP . 18.7 mt-10 -97.07 97.93 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 63.9 mtt85 -35.55 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' GLU . 19.1 t0 -90.38 -50.31 6.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.582 ' ND2' ' NE2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -90.26 40.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.553 ' NE2' ' HB2' ' A' ' 30' ' ' ALA . 27.5 mt-30 -87.14 -17.04 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -66.08 -43.2 88.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.582 ' NE2' ' ND2' ' A' ' 39' ' ' ASN . 11.0 pt20 -53.04 -41.05 64.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HB3' HD11 ' A' ' 48' ' ' ILE . 45.4 m-85 -67.1 138.17 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -126.13 168.32 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 66.8 p -45.2 -25.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 46' ' ' ILE . 22.7 mm -76.02 -65.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.1 -51.68 51.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 43' ' ' TYR . 48.0 mm -55.5 -43.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.27 -62.84 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -47.4 -49.97 23.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.617 ' HB3' HD22 ' A' ' 33' ' ' LEU . 6.9 mtm -52.25 -36.62 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 38.8 mtp -75.28 -40.02 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -49.38 -42.32 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -84.85 -44.11 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -55.24 -63.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.92 84.44 3.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.675 0.75 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -4.54 14.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.24 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -115.57 -9.18 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m 63.34 28.09 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.78 7.77 70.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.564 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.49 -44.0 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.27 -52.14 28.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.565 ' HG2' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -52.07 -32.29 34.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -74.24 -51.35 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.5 mt -45.37 -57.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -50.21 -45.55 53.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.66 -31.24 64.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 m -76.78 -27.31 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.78 -53.75 42.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CG ' HG23 ' A' ' 72' ' ' VAL . 5.3 pt-20 -44.44 -34.36 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.458 HG23 ' CG ' ' A' ' 71' ' ' GLU . 46.7 t -101.13 126.45 34.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.105 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -27.67 26.58 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' H ' HG12 ' A' ' 72' ' ' VAL . . . -78.9 -11.58 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 17' ' ' ILE . 93.1 mt -109.36 -12.57 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -61.18 -14.17 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -75.16 -25.84 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.83 -43.35 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.52 14.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.05 -33.4 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.0 -42.58 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.26 -47.87 54.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LYS . 12.5 mtpt -54.76 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' LYS . 7.3 tppt? -35.67 -56.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -57.56 -49.26 76.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -40.0 -58.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 p -78.02 135.83 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -124.19 -42.54 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.0 m -98.86 4.66 47.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.13 -158.74 18.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 128.3 15.8 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -124.72 147.36 48.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.7 p -133.91 135.52 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.431 -179.897 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -50.14 99.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -55.4 158.19 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.26 -106.34 0.42 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.411 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m -74.53 144.79 43.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -107.46 38.62 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.88 86.81 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.543 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.4 mt -133.69 132.05 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 111.171 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 10' ' ' LEU . 10.1 p -130.48 161.17 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.659 HD11 HD13 ' A' ' 62' ' ' LEU . 8.8 tp -49.97 -24.24 2.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.733 HD21 ' HB1' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -72.77 -32.63 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -52.96 -15.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.38 -17.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.4 mt -92.52 -55.61 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.298 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' CYS . 6.4 mm-40 -59.52 -41.84 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.5 t -37.11 -63.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.438 HG22 HD22 ' A' ' 75' ' ' LEU . 32.0 pt -60.34 136.8 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' HIS . 79.4 m-20 -56.11 143.38 33.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -39.49 -29.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 22.9 t60 -53.31 -54.45 36.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.643 ' CD2' HD21 ' A' ' 75' ' ' LEU . 16.8 m-85 -74.49 -46.79 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -41.74 -45.71 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -54.54 -47.11 73.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 21' ' ' TYR . 6.2 mp -55.76 -51.19 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -47.86 -45.49 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.99 -35.68 79.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -66.82 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.08 -37.69 81.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ALA . 4.3 mm? -84.37 -23.07 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -33.94 -51.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -51.57 -61.76 2.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -62.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.58 -11.44 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' ALA . 6.2 m120 55.93 38.41 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.87 -178.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -74.4 125.89 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtt-85 -32.99 -52.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -128.72 -27.18 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.484 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -76.72 45.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.92 -29.11 35.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.71 -39.86 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.472 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 4.0 pt20 -48.17 -31.48 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -77.49 154.68 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' THR . 73.5 p -119.78 149.45 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 33.3 p -35.89 -34.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.1 mp -66.38 -66.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -44.54 -41.15 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.3 mm -70.0 -28.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.733 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -78.12 -48.12 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.576 ' ND2' HG22 ' A' ' 46' ' ' ILE . 59.1 m-80 -61.94 -42.81 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.3 mtm -60.12 -46.16 90.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HE3' ' CD1' ' A' ' 29' ' ' LEU . 27.2 mtp -67.06 -43.66 82.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -40.85 -38.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -94.44 -46.91 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 45.4 tptt -42.76 -52.91 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 55' ' ' LYS . 1.5 m-85 -118.81 88.03 34.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -2.99 11.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -57.61 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 6.9 p30 -124.84 25.98 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.7 p 39.25 30.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 84.35 -25.68 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.659 HD13 HD11 ' A' ' 10' ' ' LEU . 25.2 tp -39.07 -48.28 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.73 -54.92 30.17 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -53.26 -33.28 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.4 tm? -73.49 -50.29 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG23 ' HB1' ' A' ' 79' ' ' ALA . 47.4 mt -49.42 -49.99 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.42 -43.64 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.8 -32.31 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.58 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 81.9 m -76.82 -38.96 52.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.23 -53.83 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' HG2' HG23 ' A' ' 72' ' ' VAL . 4.6 pt-20 -49.41 -23.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.484 HG23 ' HG2' ' A' ' 71' ' ' GLU . 3.6 t -108.99 130.0 23.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.698 0.761 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -28.93 24.82 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.96 58.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.643 HD21 ' CD2' ' A' ' 21' ' ' TYR . 60.8 mt -106.46 -21.36 13.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -49.35 -50.71 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -55.78 -23.1 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -87.09 -42.62 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 69' ' ' CYS . . . -49.96 -64.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -41.99 -48.11 4.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.488 ' N ' ' OE1' ' A' ' 80' ' ' GLU . 71.8 mt -53.14 -44.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.58 -16.84 62.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -83.29 -39.74 20.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -53.99 -55.01 31.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ARG . 17.3 pt-20 -66.83 -44.27 81.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' GLU . 62.7 ttt-85 -35.52 -59.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -92.97 140.69 29.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.62 83.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.8 t 46.83 42.77 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -43.68 146.39 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 118.23 5.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.739 2.293 . . . . 0.0 112.367 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -125.9 113.3 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -112.83 115.75 28.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 0 0 . 1 stop_ save_