data_2emc_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 2emc _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.6 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -137.54 120.14 16.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.69 136.58 57.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.5 -14.67 20.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.23 -40.64 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -119.34 -46.99 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.5 20.74 2.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.7 mttt -78.27 177.37 8.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.4 p -147.18 137.89 23.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 m-85 -134.56 138.02 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -57.6 -48.43 79.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -106.43 153.01 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 32.2 t -64.32 -53.58 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.56 -39.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -67.41 -50.46 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.9 tp -59.4 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -44.34 -44.35 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -67.71 -42.42 82.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD11 ' A' ' 34' ' ' ILE . 12.8 t60 -68.12 -14.41 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -77.7 -35.69 51.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.06 -21.74 23.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -71.92 -30.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.904 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.936 0.398 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -136.54 130.15 32.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -70.74 132.98 46.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -92.64 -14.21 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.2 mt-10 -75.05 -32.89 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -129.21 -44.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.2 3.67 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.5 mttm -75.82 -177.0 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 p -149.08 145.21 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -144.2 137.95 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -55.84 -52.57 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -103.22 154.58 19.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.836 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 18.9 t -63.74 -52.17 61.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -37.14 -40.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -65.36 -43.11 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' SER . 15.7 tp -65.88 -58.76 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -49.46 -41.03 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -67.52 -43.26 81.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.2 t60 -69.64 -13.97 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -79.48 -33.41 42.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.72 -18.28 30.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' ND1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -76.19 -32.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 91.9 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.0 130.51 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.7 119.43 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -79.11 -11.69 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -74.52 -41.15 61.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.98 -41.36 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.6 9.84 6.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.4 mttt -65.14 171.35 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 HG22 ' C ' ' A' ' 20' ' ' LYS . 71.6 p -141.01 145.76 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.08 135.99 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.0 p -59.79 -26.32 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.91 160.81 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.7 p -72.39 -55.79 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.11 -41.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -64.58 -47.21 79.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' SER . 33.7 tp -60.99 -61.2 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t -47.44 -40.49 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -69.57 -42.82 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.6 t60 -71.62 -13.88 61.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -79.76 -34.1 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.24 -17.03 16.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 HD12 ' ND1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -78.0 -29.16 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 64.1 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 76.2 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -134.79 116.61 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.35 131.88 49.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -94.4 -14.62 25.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.21 -32.27 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -134.65 -43.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 9.98 3.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.5 169.85 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 41.6 p -145.56 136.49 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 2.1 m-85 -142.22 139.48 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 t -59.29 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 8.0 m170 -103.52 155.66 18.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.5 p -67.28 -51.87 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.91 -38.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 33.4 m80 -67.28 -47.05 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.5 tp -62.58 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -41.2 -40.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -67.88 -48.08 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 15.0 t60 -66.92 -13.94 62.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.85 -33.5 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -19.53 58.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -74.24 -34.55 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 70.2 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -126.87 122.33 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.06 135.03 57.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -95.0 -12.9 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -74.73 -42.36 58.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.56 -44.87 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.34 2.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 29.3 mttp -80.08 172.87 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.42 HG22 ' C ' ' A' ' 20' ' ' LYS . 69.4 p -141.89 143.17 33.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.2 m-85 -139.84 141.33 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 p -57.83 -54.59 45.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -100.19 160.04 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.1 p -69.61 -48.11 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.41 -41.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -63.7 -47.06 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.39 -58.95 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -47.83 -42.15 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -68.07 -43.25 79.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.8 t60 -68.52 -13.98 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -79.05 -34.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.78 -20.57 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 HD12 ' ND1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.53 -29.44 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.847 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 47.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.931 0.396 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -134.48 118.38 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.95 136.4 58.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -97.37 -14.1 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.89 -42.26 60.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -45.26 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.32 21.29 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.6 mttm -78.29 174.09 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 20' ' ' LYS . 59.6 p -144.13 137.05 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -133.02 137.5 46.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -45.55 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 m170 -107.37 154.66 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 19.7 t -66.94 -53.3 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.92 -41.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.1 m80 -64.69 -47.51 78.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.9 tp -63.16 -56.95 12.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -52.44 -21.92 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.03 -37.58 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.5 t60 -75.01 -13.97 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.92 -35.56 50.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.6 -25.64 39.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.411 HD12 ' ND1' ' A' ' 31' ' ' HIS . 1.1 pt -67.23 -33.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.93 124.87 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -63.4 121.98 15.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -82.3 -13.25 57.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -75.33 -39.26 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -123.37 -45.28 2.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.76 10.94 4.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -66.09 -178.28 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 39.6 p -151.58 144.69 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 m-85 -142.92 144.73 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 8.5 t -85.27 29.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' SER . 4.2 m170 -173.21 126.36 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 71.6 p -52.49 -37.6 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.88 62.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 30.0 m170 -68.95 -52.23 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -54.47 -58.91 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -49.94 -40.7 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -70.53 -39.11 74.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -73.92 -13.91 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -77.94 -35.31 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.49 -24.06 43.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD12 ' ND1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -69.11 -26.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 89.7 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -126.47 130.82 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -66.85 117.3 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.57 17.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.3 mt-10 -113.88 -30.6 6.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.5 p -130.09 -31.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.17 14.63 18.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.565 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' C ' HG23 ' A' ' 21' ' ' THR . 3.4 mtpt -72.66 -174.8 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 20' ' ' LYS . 74.2 p -150.76 145.83 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 m-85 -141.93 137.28 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.1 p -51.67 -55.28 20.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -103.95 160.21 15.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 64.3 p -66.9 -53.86 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.41 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -65.22 -45.39 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.1 tp -64.53 -62.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -44.95 -41.81 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -67.8 -45.82 73.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 34' ' ' ILE . 14.8 t60 -68.91 -14.24 62.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -78.37 -32.96 49.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.42 -19.64 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.74 -27.6 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.533 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.8 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 52.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.946 0.403 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.04 127.79 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.87 115.65 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.05 -12.06 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -75.05 -40.49 60.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -125.14 -40.85 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.16 11.01 5.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.8 mttt -65.58 170.79 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 20' ' ' LYS . 43.5 p -140.01 141.34 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 m-85 -140.01 132.59 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -53.64 -47.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.4 m170 -103.56 161.13 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 22.8 t -73.13 -54.65 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.24 -41.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.2 m80 -63.49 -51.35 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.8 tp -57.33 -60.04 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 p -47.95 -41.1 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.33 -45.86 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -65.0 -13.9 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -79.54 -33.44 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.99 -18.38 57.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.425 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -75.27 -31.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.4 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.2 m-85 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -127.72 127.62 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.67 129.51 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -90.21 -11.72 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.6 mt-10 -77.91 -33.65 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.53 -42.98 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.7 18.88 4.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -77.02 -174.67 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.475 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.8 p -148.12 153.22 38.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 21' ' ' THR . 1.4 m-85 -149.78 131.83 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.5 p -50.4 -53.68 27.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -101.15 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 9.3 t -64.41 -55.41 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.09 -38.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -65.81 -48.39 71.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . 17.2 tp -58.73 -57.43 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -53.34 -41.64 65.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -66.77 -37.45 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD13 ' A' ' 34' ' ' ILE . 13.1 t60 -76.92 -13.87 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.56 -32.16 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.7 -24.1 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 HD13 ' CE1' ' A' ' 31' ' ' HIS . 1.2 pt -67.56 -35.43 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 73.2 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 68.8 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.932 0.396 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -125.41 133.04 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.8 t -80.68 110.75 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -70.4 -20.61 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.87 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -121.2 -40.02 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.31 14.08 5.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttp -69.01 173.08 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -143.47 140.08 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.9 m-85 -137.86 141.9 40.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -60.07 -49.57 77.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -104.88 159.27 15.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.539 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 43.6 t -68.34 -53.62 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.9 -42.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -63.54 -48.35 77.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' SER . 26.7 tp -60.97 -59.78 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -48.44 -39.75 23.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -70.31 -43.3 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 34' ' ' ILE . 10.9 t60 -69.95 -15.74 63.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -77.8 -36.61 50.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.65 -22.11 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -72.44 -30.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 49.6 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -135.85 119.65 17.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.65 137.91 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -97.8 -15.3 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.54 -45.31 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.71 -44.06 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.36 20.66 3.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.4 mttm -77.63 171.78 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.408 HG23 ' C ' ' A' ' 20' ' ' LYS . 76.8 p -141.96 144.45 33.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -141.16 138.55 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 p -60.13 -44.74 94.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -108.19 154.05 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 84.7 p -65.62 -53.49 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.49 -40.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -65.8 -51.9 55.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.0 tp -57.49 -62.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -44.53 -43.52 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -67.7 -42.64 81.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' HD13 ' A' ' 34' ' ' ILE . 16.0 t60 -68.82 -14.04 62.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.16 -31.25 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.52 -18.57 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 31' ' ' HIS . 1.1 pt -75.98 -28.09 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 58.8 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.908 0.385 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -134.32 115.76 14.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -58.72 136.42 57.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.71 -16.82 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.2 mt-10 -72.06 -37.18 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.15 -42.67 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.83 16.25 5.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.2 mttt -73.14 172.41 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 p -142.73 138.84 30.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -135.81 135.96 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.4 m -57.67 -42.72 84.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.5 m80 -109.31 157.93 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.1 p -70.48 -54.22 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.39 -39.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 34.5 m80 -66.97 -51.66 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.3 tp -58.4 -60.51 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 t -46.7 -40.74 13.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -71.43 -40.26 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.0 t60 -71.05 -13.91 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.45 -33.61 42.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 mt -58.22 -17.41 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.431 HD12 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -78.48 -30.26 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 79.5 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 16.7 tttm -137.15 125.49 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.5 t -59.76 114.68 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -80.46 13.47 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -108.48 -31.76 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -129.24 -36.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 114.08 13.9 9.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -70.02 -174.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 67.3 p -151.76 145.32 24.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 m-85 -142.96 137.63 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.5 p -52.86 -52.58 56.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -103.43 163.68 12.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 30.7 t -71.6 -54.48 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.7 -41.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -63.04 -46.95 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 22.0 tp -63.02 -61.16 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -46.8 -42.14 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -67.9 -44.34 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 34' ' ' ILE . 10.9 t60 -67.46 -14.04 62.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -78.98 -31.72 45.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.87 -20.98 60.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 31' ' ' HIS . 1.1 pt -73.29 -29.64 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 59.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -135.7 119.39 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 t -63.22 141.58 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -101.46 -16.98 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.7 mt-10 -71.93 -38.87 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -120.85 -46.71 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.01 26.08 2.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' C ' HG21 ' A' ' 21' ' ' THR . 6.3 mtpt -83.1 -174.73 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.412 HG21 ' C ' ' A' ' 20' ' ' LYS . 69.5 p -151.17 145.96 25.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.1 m-85 -143.32 138.64 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -59.29 -47.29 85.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -106.81 156.54 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 79.0 p -66.86 -54.48 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.03 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.2 m170 -68.83 -49.6 57.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 25' ' ' SER . 27.7 tp -61.13 -60.68 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -45.52 -45.28 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -67.05 -41.79 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' CE1' HD13 ' A' ' 34' ' ' ILE . 17.1 t60 -69.39 -13.92 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -79.26 -32.05 43.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.26 -21.75 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.493 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.78 -30.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.7 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 55.1 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.46 119.86 29.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.09 130.34 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -92.55 -11.04 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -76.56 -39.91 51.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.5 -43.82 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.96 16.0 3.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.9 mttm -73.33 166.7 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.7 p -139.65 144.25 37.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 3.2 m-85 -140.69 140.25 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.8 p -62.02 -34.9 77.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 6.3 m80 -115.14 160.78 19.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 26.1 p -73.61 -49.4 26.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.1 -42.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 30.2 m170 -63.99 -47.01 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -63.04 -58.43 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -48.9 -39.5 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -70.45 -42.6 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.5 t60 -69.74 -14.02 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -78.44 -35.07 47.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.25 -22.81 43.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.84 -30.65 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 73.5 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -129.38 123.57 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.4 t -59.42 125.04 22.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -90.65 14.06 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -108.08 -37.25 6.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -122.7 -36.25 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.32 17.85 7.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 50.3 mttt -77.61 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 20' ' ' LYS . 77.2 p -141.93 142.34 33.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.97 135.81 36.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 t -53.05 -51.04 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 14.3 m80 -103.56 162.96 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 80.3 p -74.62 -48.49 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.86 -36.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 32.7 m80 -68.95 -50.44 49.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -57.65 -58.65 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -48.11 -40.23 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -69.72 -42.99 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.5 t60 -71.27 -14.51 62.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -78.02 -36.0 49.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.4 mt -55.43 -23.42 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.405 HD13 ' ND1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.74 -29.1 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.915 0.388 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.68 122.2 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -64.0 137.01 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.68 -14.78 21.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -72.16 -43.63 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.54 -45.56 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.96 23.69 2.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.2 mttm -80.93 171.97 14.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.6 p -140.71 138.08 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.9 m-85 -135.51 139.74 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -60.03 -51.46 69.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -99.95 154.77 18.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.9 p -67.68 -46.49 72.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.57 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -67.43 -43.22 81.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 tp -65.21 -61.83 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -45.83 -42.22 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -67.79 -42.22 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -69.88 -14.44 62.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.47 -30.79 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.41 -19.55 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -27.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 71.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 8.5 tptm -120.0 111.75 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' GLY . 17.9 t -62.1 110.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.92 -21.04 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 15.1 mt-10 -62.17 -50.07 73.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.4 -38.64 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.69 11.96 6.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.6 mttt -67.7 164.0 20.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 14' ' ' LYS . 72.2 p -134.05 144.87 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -142.05 143.04 32.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.4 p -76.17 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.0 m80 -138.39 155.72 48.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 52.1 p -68.75 -55.32 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.01 -39.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 31.1 m170 -66.78 -50.19 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' SER . 45.9 tp -61.04 -63.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 t -45.48 -43.94 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -68.41 -42.73 78.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD13 ' A' ' 34' ' ' ILE . 16.4 t60 -71.22 -14.13 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -78.06 -34.01 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.32 -20.82 57.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -72.29 -29.38 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.8 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.7 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.4 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.928 0.394 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -136.46 126.47 26.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.39 119.21 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -80.8 -14.2 58.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.4 mt-10 -73.64 -40.1 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -123.36 -42.51 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 14.16 5.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.8 mttt -69.33 178.11 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -145.83 141.81 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -139.28 140.09 37.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -57.98 -49.2 77.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -105.67 160.24 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.526 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.1 t -69.63 -52.43 25.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.4 -42.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -63.61 -49.34 73.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' SER . 31.6 tp -59.87 -58.14 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -52.38 -32.39 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -77.27 -41.93 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -71.54 -14.18 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -78.3 -34.84 48.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.7 mt -58.17 -21.91 49.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -71.12 -31.94 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 72.1 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 p -152.67 144.61 23.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -97.93 86.42 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.78 72.31 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -51.34 -56.48 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -52.26 153.42 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.14 -57.37 2.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.9 p -84.92 -175.98 6.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 55.02 48.87 18.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.32 32.01 4.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -80.44 144.76 57.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -9.62 26.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.6 m-85 -122.27 123.9 42.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -137.54 120.14 16.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.69 136.58 57.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.5 -14.67 20.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.23 -40.64 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -119.34 -46.99 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.5 20.74 2.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.7 mttt -78.27 177.37 8.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.4 p -147.18 137.89 23.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 m-85 -134.56 138.02 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -57.6 -48.43 79.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -106.43 153.01 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 32.2 t -64.32 -53.58 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.56 -39.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -67.41 -50.46 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.9 tp -59.4 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -44.34 -44.35 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -67.71 -42.42 82.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD11 ' A' ' 34' ' ' ILE . 12.8 t60 -68.12 -14.41 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -77.7 -35.69 51.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.06 -21.74 23.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -71.92 -30.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -76.46 -26.11 55.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.41 51.03 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 39.09 88.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -128.72 37.75 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -172.75 147.45 1.62 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.586 0.707 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.29 8.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -64.39 -177.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.61 -89.69 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.15 30.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -55.74 151.03 11.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.6 m -160.9 110.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.476 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.8 t 36.61 42.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -51.64 109.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.13 128.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -119.0 94.0 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.926 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -53.3 111.51 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.78 -146.18 18.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 p 41.78 49.02 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -123.05 49.99 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -126.13 28.04 6.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -83.5 146.36 50.13 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -7.34 20.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 -124.91 125.62 44.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -136.54 130.15 32.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -70.74 132.98 46.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -92.64 -14.21 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.2 mt-10 -75.05 -32.89 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -129.21 -44.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.2 3.67 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.5 mttm -75.82 -177.0 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 p -149.08 145.21 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -144.2 137.95 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -55.84 -52.57 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -103.22 154.58 19.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.836 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 18.9 t -63.74 -52.17 61.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -37.14 -40.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -65.36 -43.11 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' SER . 15.7 tp -65.88 -58.76 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -49.46 -41.03 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -67.52 -43.26 81.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.2 t60 -69.64 -13.97 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -79.48 -33.41 42.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.72 -18.28 30.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' ND1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -76.19 -32.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 -71.39 -34.45 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.3 103.59 15.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.54 106.37 2.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -101.37 81.54 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -169.59 154.13 5.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.724 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.41 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -92.11 -57.2 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.67 -66.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 175.61 7.92 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m -120.6 -56.04 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 m -104.08 104.03 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -130.14 88.58 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 m -71.25 149.62 46.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.49 -68.82 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -80.68 154.38 27.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m -105.28 -60.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 117.84 157.36 10.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.0 t 34.1 46.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 111.136 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -135.21 115.22 13.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -142.55 123.14 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -109.58 144.25 29.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.71 -14.42 36.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 0.0 112.379 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 91.9 m-85 -113.94 117.23 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.0 130.51 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.7 119.43 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -79.11 -11.69 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -74.52 -41.15 61.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.98 -41.36 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.6 9.84 6.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.4 mttt -65.14 171.35 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 HG22 ' C ' ' A' ' 20' ' ' LYS . 71.6 p -141.01 145.76 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.08 135.99 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.0 p -59.79 -26.32 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.91 160.81 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.7 p -72.39 -55.79 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.11 -41.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -64.58 -47.21 79.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' SER . 33.7 tp -60.99 -61.2 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t -47.44 -40.49 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -69.57 -42.82 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.6 t60 -71.62 -13.88 61.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -79.76 -34.1 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.24 -17.03 16.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 HD12 ' ND1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -78.0 -29.16 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 64.1 m-70 -75.56 -33.91 60.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.92 -48.76 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.08 82.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -106.46 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -160.35 145.63 11.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -7.4 20.96 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -114.67 146.31 41.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -155.03 -158.21 8.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.76 5.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.345 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.0 t -43.3 146.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -82.56 -59.66 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.466 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -107.17 -43.22 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 t -87.66 143.56 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.38 -88.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -59.42 -60.27 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 p -127.24 154.05 45.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.1 179.12 0.74 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.7 p -124.21 85.44 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.52 138.36 26.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -131.02 -39.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -44.54 143.78 1.98 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 -12.62 33.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 76.2 m-85 -122.62 123.28 40.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -134.79 116.61 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.35 131.88 49.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -94.4 -14.62 25.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.21 -32.27 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -134.65 -43.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 9.98 3.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.5 169.85 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 41.6 p -145.56 136.49 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 2.1 m-85 -142.22 139.48 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 t -59.29 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 8.0 m170 -103.52 155.66 18.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.5 p -67.28 -51.87 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.91 -38.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 33.4 m80 -67.28 -47.05 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.5 tp -62.58 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -41.2 -40.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -67.88 -48.08 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 15.0 t60 -66.92 -13.94 62.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.85 -33.5 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -19.53 58.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -74.24 -34.55 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -68.9 -30.74 69.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.61 -175.02 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.46 52.09 52.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -102.14 -55.89 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -163.08 153.82 14.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.615 0.722 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 144.93 55.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -122.22 153.75 38.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.29 146.67 16.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 145.37 56.62 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.652 2.235 . . . . 0.0 112.309 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 p -59.94 162.74 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t -39.43 105.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.455 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -139.41 153.35 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -139.44 178.08 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.52 148.88 18.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -91.55 152.59 20.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -97.7 -61.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.82 71.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.4 t -96.29 145.23 25.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 111.096 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 3.5 mppt? -64.78 143.82 57.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -138.56 165.39 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -46.92 156.57 0.53 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.561 0.696 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.77 -11.08 30.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 70.2 m-85 -121.49 108.65 13.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -126.87 122.33 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.06 135.03 57.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -95.0 -12.9 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -74.73 -42.36 58.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.56 -44.87 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.34 2.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 29.3 mttp -80.08 172.87 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.42 HG22 ' C ' ' A' ' 20' ' ' LYS . 69.4 p -141.89 143.17 33.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.2 m-85 -139.84 141.33 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 p -57.83 -54.59 45.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -100.19 160.04 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.1 p -69.61 -48.11 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.41 -41.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -63.7 -47.06 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.39 -58.95 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -47.83 -42.15 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -68.07 -43.25 79.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.8 t60 -68.52 -13.98 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -79.05 -34.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.78 -20.57 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 HD12 ' ND1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.53 -29.44 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -76.81 -32.09 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.7 52.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.54 -135.12 50.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 42.65 27.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 41' ' ' SER . 28.3 p-10 -137.57 144.04 43.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -1.7 8.96 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.408 ' HB2' ' ND2' ' A' ' 39' ' ' ASN . 69.7 m -78.1 170.68 16.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.07 -158.16 7.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.1 7.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.217 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -112.16 -60.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -116.95 143.14 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.515 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -73.46 175.18 7.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -101.34 176.85 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.25 137.96 9.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -79.05 94.34 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -116.84 42.16 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.55 123.65 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -121.62 120.97 36.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -85.68 84.47 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -119.12 147.82 43.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -85.67 143.92 39.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.78 -8.96 24.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 47.1 m-85 -125.06 118.5 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -134.48 118.38 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.95 136.4 58.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -97.37 -14.1 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.89 -42.26 60.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -45.26 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.32 21.29 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.6 mttm -78.29 174.09 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 20' ' ' LYS . 59.6 p -144.13 137.05 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -133.02 137.5 46.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -45.55 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 m170 -107.37 154.66 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 19.7 t -66.94 -53.3 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.92 -41.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.1 m80 -64.69 -47.51 78.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.9 tp -63.16 -56.95 12.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -52.44 -21.92 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.03 -37.58 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.5 t60 -75.01 -13.97 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.92 -35.56 50.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.6 -25.64 39.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.411 HD12 ' ND1' ' A' ' 31' ' ' HIS . 1.1 pt -67.23 -33.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -74.6 -33.69 62.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.38 125.82 30.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.39 112.04 1.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 36.4 mp0 -92.88 40.85 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -107.36 74.23 0.41 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.718 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 53.4 Cg_endo -69.76 120.51 7.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -93.42 42.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.41 70.21 1.01 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.79 5.15 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.7 t -125.03 -47.27 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -123.82 91.76 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.8 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.495 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -139.66 121.41 15.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -109.44 106.45 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.9 -80.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t 51.27 43.36 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -102.24 166.12 10.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.87 139.93 11.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.7 p -64.02 110.15 2.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.154 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -98.67 45.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -112.09 63.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -106.79 143.98 28.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -7.3 20.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.6 m-85 -121.27 108.92 14.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.93 124.87 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -63.4 121.98 15.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -82.3 -13.25 57.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -75.33 -39.26 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -123.37 -45.28 2.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.76 10.94 4.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -66.09 -178.28 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 39.6 p -151.58 144.69 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 m-85 -142.92 144.73 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 8.5 t -85.27 29.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' SER . 4.2 m170 -173.21 126.36 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 71.6 p -52.49 -37.6 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.88 62.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 30.0 m170 -68.95 -52.23 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -54.47 -58.91 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -49.94 -40.7 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -70.53 -39.11 74.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -73.92 -13.91 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -77.94 -35.31 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.49 -24.06 43.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD12 ' ND1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -69.11 -26.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -82.99 -36.87 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -55.4 113.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 64.06 -74.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' ALA . 79.7 mt-10 -36.06 110.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 27.5 t-20 -172.77 140.98 0.99 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 39' ' ' ASN . 53.4 Cg_endo -69.76 163.55 37.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.343 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 t -38.51 -60.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.69 174.94 0.87 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.509 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 -29.34 23.45 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.258 . . . . 0.0 112.26 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 m -74.25 169.63 17.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -64.75 -61.7 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.499 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -143.81 131.01 20.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -50.18 -55.71 14.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.97 55.32 7.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -129.54 175.21 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -146.77 154.59 41.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.03 131.68 6.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.6 p -92.62 158.01 16.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.174 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -103.19 41.41 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -78.2 -63.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 2.5 m170 -107.21 145.18 30.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -11.77 31.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 89.7 m-85 -113.95 117.43 31.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -126.47 130.82 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -66.85 117.3 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.57 17.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.3 mt-10 -113.88 -30.6 6.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.5 p -130.09 -31.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.17 14.63 18.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.565 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' C ' HG23 ' A' ' 21' ' ' THR . 3.4 mtpt -72.66 -174.8 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 20' ' ' LYS . 74.2 p -150.76 145.83 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 m-85 -141.93 137.28 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.1 p -51.67 -55.28 20.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -103.95 160.21 15.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 64.3 p -66.9 -53.86 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.41 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -65.22 -45.39 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.1 tp -64.53 -62.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -44.95 -41.81 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -67.8 -45.82 73.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 34' ' ' ILE . 14.8 t60 -68.91 -14.24 62.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -78.37 -32.96 49.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.42 -19.64 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.74 -27.6 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.533 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.8 m-70 -78.37 -33.83 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.73 154.96 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.41 105.23 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.05 106.33 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -134.69 146.54 59.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.5 p -137.19 158.92 43.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.44 82.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.73 -14.04 35.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 t -47.23 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 43' ' ' PRO . 3.9 m -165.9 150.95 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.47 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 p -62.33 134.15 56.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.818 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -134.17 110.75 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.68 40.31 0.77 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -75.5 106.69 7.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -131.17 93.88 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.51 52.57 2.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 9' ' ' LYS . 8.8 t -92.35 -43.2 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 111.155 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' N ' HG21 ' A' ' 8' ' ' THR . 11.4 tppt? -71.9 136.09 46.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 2.4 pp20? -125.3 107.37 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -99.01 153.88 37.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.71 -5.12 15.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.717 2.278 . . . . 0.0 112.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 52.5 m-85 -131.57 121.26 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.04 127.79 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.87 115.65 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.05 -12.06 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -75.05 -40.49 60.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -125.14 -40.85 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.16 11.01 5.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.8 mttt -65.58 170.79 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 20' ' ' LYS . 43.5 p -140.01 141.34 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 m-85 -140.01 132.59 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -53.64 -47.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.4 m170 -103.56 161.13 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 22.8 t -73.13 -54.65 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.24 -41.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.2 m80 -63.49 -51.35 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.8 tp -57.33 -60.04 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 p -47.95 -41.1 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.33 -45.86 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -65.0 -13.9 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -79.54 -33.44 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.99 -18.38 57.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.425 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -75.27 -31.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.4 m-70 -73.48 -31.24 63.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.07 157.23 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -101.66 88.02 0.68 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' GLY . 65.4 mt-10 -36.51 -55.4 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.425 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.3 t30 -134.66 139.99 34.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 39' ' ' ASN . 53.5 Cg_endo -69.8 92.25 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 m -136.44 105.16 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.84 -165.68 38.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 174.01 10.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.9 p -67.97 134.4 50.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -166.16 146.09 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.516 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -131.05 151.23 51.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -62.31 117.27 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.47 45.15 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -123.45 87.71 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -67.04 122.43 17.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.79 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.43 107.63 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -128.22 115.32 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -112.5 45.11 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -71.7 -59.46 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -94.54 145.5 29.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.714 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -12.94 33.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.378 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.2 m-85 -113.94 118.18 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -127.72 127.62 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.67 129.51 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -90.21 -11.72 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.6 mt-10 -77.91 -33.65 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.53 -42.98 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.7 18.88 4.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -77.02 -174.67 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.475 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.8 p -148.12 153.22 38.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 21' ' ' THR . 1.4 m-85 -149.78 131.83 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.5 p -50.4 -53.68 27.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -101.15 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 9.3 t -64.41 -55.41 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.09 -38.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -65.81 -48.39 71.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . 17.2 tp -58.73 -57.43 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -53.34 -41.64 65.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -66.77 -37.45 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD13 ' A' ' 34' ' ' ILE . 13.1 t60 -76.92 -13.87 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.56 -32.16 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.7 -24.1 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 HD13 ' CE1' ' A' ' 31' ' ' HIS . 1.2 pt -67.56 -35.43 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 73.2 m-70 -69.75 -33.71 72.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.71 37.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.58 -4.77 79.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -89.43 45.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -132.8 63.03 65.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.23 25.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 m -129.63 42.14 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.9 -80.5 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.447 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -4.22 13.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -70.21 -177.11 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.7 m -57.31 -49.49 75.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.471 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -153.43 132.83 12.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -128.99 127.02 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.48 119.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -71.02 -52.5 19.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -122.86 174.1 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.39 61.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.3 p -102.11 158.77 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -56.65 149.05 18.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.91 -69.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -114.17 146.23 35.31 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -8.93 24.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 68.8 m-85 -118.86 112.18 19.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -125.41 133.04 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.8 t -80.68 110.75 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -70.4 -20.61 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.87 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -121.2 -40.02 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.31 14.08 5.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttp -69.01 173.08 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -143.47 140.08 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.9 m-85 -137.86 141.9 40.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -60.07 -49.57 77.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -104.88 159.27 15.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.539 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 43.6 t -68.34 -53.62 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.9 -42.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -63.54 -48.35 77.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' SER . 26.7 tp -60.97 -59.78 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -48.44 -39.75 23.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -70.31 -43.3 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 34' ' ' ILE . 10.9 t60 -69.95 -15.74 63.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -77.8 -36.61 50.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.65 -22.11 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -72.44 -30.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -77.04 -36.58 55.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' GLY . . . -54.92 -176.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -37.14 -53.29 1.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.31 81.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' GLY . 9.9 p30 -148.64 146.74 22.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 176.65 6.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.1 p -97.63 158.42 15.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.19 -158.55 21.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 144.78 55.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -159.74 113.46 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.7 m -59.95 102.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -124.43 41.98 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -71.8 157.37 38.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.33 46.03 3.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -90.24 138.78 31.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -85.01 134.51 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.64 141.18 9.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -119.13 75.72 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -85.46 88.31 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -116.55 175.7 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -41.81 144.07 0.86 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -11.52 31.09 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.385 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 49.6 m-85 -119.76 117.95 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -135.85 119.65 17.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.65 137.91 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -97.8 -15.3 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.54 -45.31 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.71 -44.06 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.36 20.66 3.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.4 mttm -77.63 171.78 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.408 HG23 ' C ' ' A' ' 20' ' ' LYS . 76.8 p -141.96 144.45 33.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -141.16 138.55 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 p -60.13 -44.74 94.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -108.19 154.05 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 84.7 p -65.62 -53.49 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.49 -40.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -65.8 -51.9 55.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.0 tp -57.49 -62.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -44.53 -43.52 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -67.7 -42.64 81.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' HD13 ' A' ' 34' ' ' ILE . 16.0 t60 -68.82 -14.04 62.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.16 -31.25 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.52 -18.57 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 31' ' ' HIS . 1.1 pt -75.98 -28.09 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -78.03 -31.65 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.19 -56.29 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.97 139.97 1.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.01 -43.1 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -128.76 75.59 79.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 163.57 37.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -119.67 95.37 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.09 171.43 31.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -174.7 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.7 p -68.5 156.33 38.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.0 p -127.22 -58.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.51 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.3 m -42.87 -44.4 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' SER . 76.2 p -35.19 141.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.88 -44.86 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 31.5 t -39.9 -46.38 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 79.5 p -38.17 123.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.91 106.07 0.19 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.6 p -101.71 146.1 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -93.07 80.52 4.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -76.28 -49.02 18.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.471 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 4.3 m170 -101.41 144.01 27.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.83 33.71 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 58.8 m-85 -117.62 121.56 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -134.32 115.76 14.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -58.72 136.42 57.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.71 -16.82 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.2 mt-10 -72.06 -37.18 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.15 -42.67 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.83 16.25 5.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.2 mttt -73.14 172.41 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 p -142.73 138.84 30.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -135.81 135.96 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.4 m -57.67 -42.72 84.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.5 m80 -109.31 157.93 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.1 p -70.48 -54.22 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.39 -39.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 34.5 m80 -66.97 -51.66 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.3 tp -58.4 -60.51 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 t -46.7 -40.74 13.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -71.43 -40.26 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.0 t60 -71.05 -13.91 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.45 -33.61 42.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 mt -58.22 -17.41 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.431 HD12 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -78.48 -30.26 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.8 m-70 -74.25 -33.32 63.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.47 63.1 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.67 113.84 4.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -163.53 151.21 12.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -126.72 143.32 46.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.658 0.742 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 97.54 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.9 p -150.01 118.36 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.88 -179.73 22.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.0 3.92 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -51.7 163.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.4 p -157.09 173.98 16.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.458 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -154.29 145.61 22.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -152.18 109.42 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.16 129.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -111.64 86.35 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 p -111.57 104.88 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -39.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -115.71 135.22 54.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -108.14 96.54 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -102.12 -51.74 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -106.22 146.28 32.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.625 0.726 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.62 24.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 79.5 m-85 -118.77 126.35 51.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 16.7 tttm -137.15 125.49 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.5 t -59.76 114.68 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -80.46 13.47 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -108.48 -31.76 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -129.24 -36.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 114.08 13.9 9.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -70.02 -174.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 67.3 p -151.76 145.32 24.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 m-85 -142.96 137.63 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.5 p -52.86 -52.58 56.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -103.43 163.68 12.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 30.7 t -71.6 -54.48 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.7 -41.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -63.04 -46.95 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 22.0 tp -63.02 -61.16 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -46.8 -42.14 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -67.9 -44.34 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 34' ' ' ILE . 10.9 t60 -67.46 -14.04 62.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -78.98 -31.72 45.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.87 -20.98 60.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 31' ' ' HIS . 1.1 pt -73.29 -29.64 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -77.09 -33.95 56.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.71 90.6 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.87 99.02 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -88.41 104.23 16.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -147.32 144.07 19.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.645 0.736 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.7 26.76 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -72.12 122.09 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.54 83.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -3.56 12.23 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.65 2.234 . . . . 0.0 112.375 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t 72.26 41.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 t -60.53 121.49 12.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 m -52.89 146.72 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -76.85 -52.81 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.1 159.48 2.59 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -94.82 84.67 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -130.38 94.58 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.26 147.7 16.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -108.59 153.4 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 111.088 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.07 73.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 20.0 mt-10 -71.9 -63.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 26.7 m-70 -166.04 154.09 9.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -12.56 33.16 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 59.1 m-85 -120.7 119.82 33.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -135.7 119.39 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 t -63.22 141.58 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -101.46 -16.98 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.7 mt-10 -71.93 -38.87 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -120.85 -46.71 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.01 26.08 2.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' C ' HG21 ' A' ' 21' ' ' THR . 6.3 mtpt -83.1 -174.73 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.412 HG21 ' C ' ' A' ' 20' ' ' LYS . 69.5 p -151.17 145.96 25.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.1 m-85 -143.32 138.64 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -59.29 -47.29 85.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -106.81 156.54 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 79.0 p -66.86 -54.48 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.03 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.2 m170 -68.83 -49.6 57.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 25' ' ' SER . 27.7 tp -61.13 -60.68 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -45.52 -45.28 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -67.05 -41.79 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' CE1' HD13 ' A' ' 34' ' ' ILE . 17.1 t60 -69.39 -13.92 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -79.26 -32.05 43.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.26 -21.75 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.493 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.78 -30.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.7 m-70 -76.42 -33.18 58.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.82 107.14 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.93 71.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.18 139.44 31.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -152.43 144.01 16.22 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.662 0.744 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 0.48 5.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.303 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -111.7 43.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.2 178.78 17.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.94 15.61 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.346 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p -55.65 154.4 6.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -75.17 84.09 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.457 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -141.59 149.13 40.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 m -40.97 -52.32 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.01 -167.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -112.43 89.0 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 m -128.73 41.9 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.99 112.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.544 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.4 p -88.44 -56.29 3.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.801 0.334 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? 47.92 44.69 18.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 14.5 mm-40 -96.19 -45.53 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 22.9 m-70 -168.89 159.81 8.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.75 -13.88 35.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 55.1 m-85 -121.63 103.74 9.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.46 119.86 29.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.09 130.34 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -92.55 -11.04 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -76.56 -39.91 51.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.5 -43.82 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.96 16.0 3.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.9 mttm -73.33 166.7 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.7 p -139.65 144.25 37.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 3.2 m-85 -140.69 140.25 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.8 p -62.02 -34.9 77.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 6.3 m80 -115.14 160.78 19.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 26.1 p -73.61 -49.4 26.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.1 -42.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 30.2 m170 -63.99 -47.01 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -63.04 -58.43 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -48.9 -39.5 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -70.45 -42.6 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.5 t60 -69.74 -14.02 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -78.44 -35.07 47.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.25 -22.81 43.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.84 -30.65 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -77.24 -33.97 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.97 125.0 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.79 90.05 0.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -130.71 110.39 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.463 ' ND2' ' HD2' ' A' ' 40' ' ' PRO . 28.8 t-20 -140.03 138.69 19.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' ND2' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.77 136.05 31.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.7 t -105.93 85.57 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 33.98 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' SER . 53.5 Cg_endo -69.81 169.41 19.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.317 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p 40.04 47.05 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -93.98 -45.46 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.504 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 m -129.32 143.49 50.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -127.3 175.83 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.57 161.68 38.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -84.4 -52.79 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t 48.49 42.14 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.35 111.61 0.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LYS . 66.6 p -37.86 -50.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.355 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' THR . 1.8 mmmm -34.48 151.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -131.46 176.35 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -65.61 155.94 84.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.712 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.13 36.48 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 73.5 m-85 -110.18 113.96 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -129.38 123.57 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.4 t -59.42 125.04 22.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -90.65 14.06 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -108.08 -37.25 6.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -122.7 -36.25 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.32 17.85 7.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 50.3 mttt -77.61 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 20' ' ' LYS . 77.2 p -141.93 142.34 33.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.97 135.81 36.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 t -53.05 -51.04 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 14.3 m80 -103.56 162.96 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 80.3 p -74.62 -48.49 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.86 -36.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 32.7 m80 -68.95 -50.44 49.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -57.65 -58.65 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -48.11 -40.23 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -69.72 -42.99 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.5 t60 -71.27 -14.51 62.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -78.02 -36.0 49.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.4 mt -55.43 -23.42 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.405 HD13 ' ND1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.74 -29.1 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -80.81 -38.12 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.44 -54.64 13.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.46 -54.95 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -66.2 162.7 19.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -142.59 142.77 24.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -45.03 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -161.3 125.73 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.49 146.39 7.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 173.01 11.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.3 p -117.87 139.45 51.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -134.41 111.54 10.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -44.59 -44.9 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.802 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -156.44 139.32 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.98 -156.95 30.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -133.32 152.66 51.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -53.87 -59.54 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.66 177.01 21.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -50.63 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.18 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -136.87 130.15 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -115.0 154.24 29.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -113.82 144.78 32.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.816 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -10.98 29.88 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.1 m-85 -121.59 116.59 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.68 122.2 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -64.0 137.01 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.68 -14.78 21.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -72.16 -43.63 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.54 -45.56 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.96 23.69 2.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.2 mttm -80.93 171.97 14.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.6 p -140.71 138.08 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.9 m-85 -135.51 139.74 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -60.03 -51.46 69.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -99.95 154.77 18.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.9 p -67.68 -46.49 72.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.57 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -67.43 -43.22 81.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 tp -65.21 -61.83 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -45.83 -42.22 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -67.79 -42.22 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -69.88 -14.44 62.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.47 -30.79 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.41 -19.55 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -27.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -78.67 -36.09 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 -53.54 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.45 39.11 80.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -76.52 -60.33 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -107.47 79.39 0.78 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.34 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 m -67.19 125.36 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.97 145.82 4.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -4.86 14.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.242 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -44.34 116.18 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.5 p -83.47 45.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.483 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 p -122.71 140.89 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -153.59 123.69 6.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.68 47.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m -109.59 130.56 55.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 t -161.81 144.31 11.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.54 112.55 3.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.2 p -102.12 -49.11 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? 71.29 49.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 30.0 mt-10 -81.53 -32.3 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 23' ' ' SER . 24.0 m-70 -167.77 159.77 9.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -10.63 29.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 71.1 m-85 -123.42 102.1 7.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 8.5 tptm -120.0 111.75 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' GLY . 17.9 t -62.1 110.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.92 -21.04 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 15.1 mt-10 -62.17 -50.07 73.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.4 -38.64 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.69 11.96 6.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.6 mttt -67.7 164.0 20.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 14' ' ' LYS . 72.2 p -134.05 144.87 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -142.05 143.04 32.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.502 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 82.4 p -76.17 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.0 m80 -138.39 155.72 48.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 52.1 p -68.75 -55.32 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.01 -39.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 31.1 m170 -66.78 -50.19 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' SER . 45.9 tp -61.04 -63.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 t -45.48 -43.94 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -68.41 -42.73 78.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD13 ' A' ' 34' ' ' ILE . 16.4 t60 -71.22 -14.13 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -78.06 -34.01 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.32 -20.82 57.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -72.29 -29.38 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.8 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.7 m-70 -76.84 -33.0 57.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.5 -175.81 5.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.93 41.99 93.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -155.41 127.34 7.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.936 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -153.68 144.19 15.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -8.44 23.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.9 t -117.27 150.06 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.04 -167.81 1.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 87.0 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -80.54 137.2 36.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 m -51.15 173.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.484 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -77.48 143.0 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -100.37 -46.63 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.07 175.27 43.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -104.48 89.35 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.397 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 t -89.72 142.79 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.11 -177.01 23.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -104.39 113.02 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 111.149 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.51 138.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' ' CD2' ' A' ' 11' ' ' HIS . 3.3 pm0 -133.03 15.74 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.418 ' CD2' ' HG2' ' A' ' 10' ' ' GLU . 37.8 m170 -107.1 148.52 37.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.545 0.688 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.74 -10.96 29.87 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.74 2.293 . . . . 0.0 112.369 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.4 m-85 -127.91 125.06 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -136.46 126.47 26.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.39 119.21 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -80.8 -14.2 58.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.4 mt-10 -73.64 -40.1 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -123.36 -42.51 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 14.16 5.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.8 mttt -69.33 178.11 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -145.83 141.81 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -139.28 140.09 37.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -57.98 -49.2 77.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -105.67 160.24 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.526 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.1 t -69.63 -52.43 25.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.4 -42.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -63.61 -49.34 73.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' SER . 31.6 tp -59.87 -58.14 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -52.38 -32.39 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -77.27 -41.93 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -71.54 -14.18 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -78.3 -34.84 48.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.7 mt -58.17 -21.91 49.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -71.12 -31.94 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 72.1 m-70 -74.35 -26.39 60.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.98 47.7 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.27 49.97 0.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.64 177.61 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -129.43 134.3 26.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 1.8 4.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -78.98 87.67 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.66 146.23 14.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.63 56.24 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.307 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -107.12 98.35 8.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 p -97.99 155.26 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.487 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.6 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -137.54 120.14 16.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.69 136.58 57.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.5 -14.67 20.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.5 mt-10 -74.23 -40.64 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -119.34 -46.99 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.5 20.74 2.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.7 mttt -78.27 177.37 8.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.4 p -147.18 137.89 23.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 m-85 -134.56 138.02 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -57.6 -48.43 79.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -106.43 153.01 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 32.2 t -64.32 -53.58 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.56 -39.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -67.41 -50.46 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.9 tp -59.4 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -44.34 -44.35 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -67.71 -42.42 82.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.8 t60 -68.12 -14.41 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -77.7 -35.69 51.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.06 -21.74 23.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -71.92 -30.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.3 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.936 0.398 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HG3' HG22 ' A' ' 21' ' ' THR . 29.8 tttt -136.54 130.15 32.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -70.74 132.98 46.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -92.64 -14.21 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.2 mt-10 -75.05 -32.89 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -129.21 -44.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.2 3.67 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.5 mttm -75.82 -177.0 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 HG22 ' HG3' ' A' ' 14' ' ' LYS . 62.8 p -149.08 145.21 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -144.2 137.95 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -55.84 -52.57 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -103.22 154.58 19.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.836 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 18.9 t -63.74 -52.17 61.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -37.14 -40.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -65.36 -43.11 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' SER . 15.7 tp -65.88 -58.76 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -49.46 -41.03 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -67.52 -43.26 81.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.2 t60 -69.64 -13.97 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.46 HE21 HD11 ' A' ' 28' ' ' LEU . 39.5 mt-30 -79.48 -33.41 42.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.72 -18.28 30.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.19 -32.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 91.9 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.598 ' HG3' HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -130.0 130.51 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.7 119.43 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -79.11 -11.69 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -74.52 -41.15 61.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.98 -41.36 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.6 9.84 6.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.4 mttt -65.14 171.35 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.598 HG22 ' HG3' ' A' ' 14' ' ' LYS . 71.6 p -141.01 145.76 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.08 135.99 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.0 p -59.79 -26.32 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.91 160.81 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.7 p -72.39 -55.79 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.11 -41.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -64.58 -47.21 79.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' SER . 33.7 tp -60.99 -61.2 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t -47.44 -40.49 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -69.57 -42.82 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.6 t60 -71.62 -13.88 61.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -79.76 -34.1 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.24 -17.03 16.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.0 -29.16 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 64.1 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 76.2 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -134.79 116.61 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.35 131.88 49.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -94.4 -14.62 25.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.21 -32.27 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -134.65 -43.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 9.98 3.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.5 169.85 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 41.6 p -145.56 136.49 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 2.1 m-85 -142.22 139.48 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 t -59.29 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 8.0 m170 -103.52 155.66 18.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.581 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.5 p -67.28 -51.87 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.91 -38.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 33.4 m80 -67.28 -47.05 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.5 tp -62.58 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -41.2 -40.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -67.88 -48.08 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.0 t60 -66.92 -13.94 62.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.85 -33.5 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -19.53 58.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -74.24 -34.55 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 70.2 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -126.87 122.33 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.06 135.03 57.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -95.0 -12.9 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -74.73 -42.36 58.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.56 -44.87 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.34 2.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 29.3 mttp -80.08 172.87 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 p -141.89 143.17 33.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.2 m-85 -139.84 141.33 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 p -57.83 -54.59 45.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -100.19 160.04 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.1 p -69.61 -48.11 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.41 -41.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -63.7 -47.06 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.39 -58.95 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -47.83 -42.15 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -68.07 -43.25 79.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.8 t60 -68.52 -13.98 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -79.05 -34.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.78 -20.57 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.53 -29.44 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.847 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 47.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.931 0.396 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -134.48 118.38 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.95 136.4 58.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -97.37 -14.1 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.89 -42.26 60.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -45.26 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.32 21.29 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.6 mttm -78.29 174.09 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.6 p -144.13 137.05 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -133.02 137.5 46.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -45.55 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 m170 -107.37 154.66 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 19.7 t -66.94 -53.3 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.92 -41.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.1 m80 -64.69 -47.51 78.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.9 tp -63.16 -56.95 12.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -52.44 -21.92 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.03 -37.58 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.5 t60 -75.01 -13.97 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.92 -35.56 50.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.6 -25.64 39.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 34' ' ' ILE . 1.1 pt -67.23 -33.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -123.93 124.87 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -63.4 121.98 15.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -82.3 -13.25 57.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -75.33 -39.26 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -123.37 -45.28 2.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.76 10.94 4.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -66.09 -178.28 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 39.6 p -151.58 144.69 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 m-85 -142.92 144.73 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 8.5 t -85.27 29.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' SER . 4.2 m170 -173.21 126.36 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 71.6 p -52.49 -37.6 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.88 62.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 30.0 m170 -68.95 -52.23 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -54.47 -58.91 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -49.94 -40.7 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -70.53 -39.11 74.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -73.92 -13.91 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -77.94 -35.31 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.49 -24.06 43.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -69.11 -26.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 89.7 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -126.47 130.82 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.0 t -66.85 117.3 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.57 17.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 13.3 mt-10 -113.88 -30.6 6.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.5 p -130.09 -31.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.17 14.63 18.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.565 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.66 -174.8 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -150.76 145.83 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 m-85 -141.93 137.28 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.1 p -51.67 -55.28 20.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -103.95 160.21 15.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 64.3 p -66.9 -53.86 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.41 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -65.22 -45.39 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.1 tp -64.53 -62.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -44.95 -41.81 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -67.8 -45.82 73.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' HD11 ' A' ' 34' ' ' ILE . 14.8 t60 -68.91 -14.24 62.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -78.37 -32.96 49.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.42 -19.64 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.74 -27.6 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 25.4 m80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 52.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.946 0.403 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.669 ' HG3' HG22 ' A' ' 21' ' ' THR . 1.0 OUTLIER -133.04 127.79 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.87 115.65 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.05 -12.06 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -75.05 -40.49 60.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -125.14 -40.85 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.16 11.01 5.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.8 mttt -65.58 170.79 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.669 HG22 ' HG3' ' A' ' 14' ' ' LYS . 43.5 p -140.01 141.34 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 m-85 -140.01 132.59 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -53.64 -47.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.4 m170 -103.56 161.13 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 22.8 t -73.13 -54.65 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.24 -41.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.2 m80 -63.49 -51.35 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.8 tp -57.33 -60.04 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 p -47.95 -41.1 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.33 -45.86 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -65.0 -13.9 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -79.54 -33.44 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.99 -18.38 57.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.538 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -75.27 -31.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.4 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.2 m-85 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -127.72 127.62 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.67 129.51 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -90.21 -11.72 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.6 mt-10 -77.91 -33.65 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.53 -42.98 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.7 18.88 4.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -77.02 -174.67 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.475 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.8 p -148.12 153.22 38.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 21' ' ' THR . 1.4 m-85 -149.78 131.83 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.5 p -50.4 -53.68 27.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -101.15 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 9.3 t -64.41 -55.41 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.09 -38.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -65.81 -48.39 71.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . 17.2 tp -58.73 -57.43 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -53.34 -41.64 65.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -66.77 -37.45 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -76.92 -13.87 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.56 -32.16 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.7 -24.1 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.4 ' H ' HG23 ' A' ' 34' ' ' ILE . 1.2 pt -67.56 -35.43 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 73.2 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 68.8 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.932 0.396 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -125.41 133.04 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.8 t -80.68 110.75 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -70.4 -20.61 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.87 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -121.2 -40.02 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.31 14.08 5.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttp -69.01 173.08 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -143.47 140.08 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.9 m-85 -137.86 141.9 40.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -60.07 -49.57 77.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -104.88 159.27 15.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 43.6 t -68.34 -53.62 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.9 -42.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -63.54 -48.35 77.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' SER . 26.7 tp -60.97 -59.78 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -48.44 -39.75 23.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -70.31 -43.3 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.9 t60 -69.95 -15.74 63.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -77.8 -36.61 50.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.65 -22.11 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -30.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 49.6 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -135.85 119.65 17.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.65 137.91 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -97.8 -15.3 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.54 -45.31 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.71 -44.06 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.36 20.66 3.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.4 mttm -77.63 171.78 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.8 p -141.96 144.45 33.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -141.16 138.55 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 p -60.13 -44.74 94.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -108.19 154.05 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 84.7 p -65.62 -53.49 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.49 -40.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -65.8 -51.9 55.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.0 tp -57.49 -62.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -44.53 -43.52 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -67.7 -42.64 81.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 16.0 t60 -68.82 -14.04 62.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.16 -31.25 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.52 -18.57 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.98 -28.09 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 58.8 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.908 0.385 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HB2' HG22 ' A' ' 21' ' ' THR . 10.0 tmtt? -134.32 115.76 14.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -58.72 136.42 57.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.71 -16.82 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.2 mt-10 -72.06 -37.18 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.15 -42.67 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.83 16.25 5.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.2 mttt -73.14 172.41 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 14' ' ' LYS . 34.2 p -142.73 138.84 30.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -135.81 135.96 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.4 m -57.67 -42.72 84.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.5 m80 -109.31 157.93 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.1 p -70.48 -54.22 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.39 -39.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 34.5 m80 -66.97 -51.66 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.3 tp -58.4 -60.51 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 t -46.7 -40.74 13.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -71.43 -40.26 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.0 t60 -71.05 -13.91 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.45 -33.61 42.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 mt -58.22 -17.41 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.48 -30.26 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 79.5 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 16.7 tttm -137.15 125.49 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.5 t -59.76 114.68 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -80.46 13.47 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -108.48 -31.76 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -129.24 -36.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.428 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 114.08 13.9 9.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -70.02 -174.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 67.3 p -151.76 145.32 24.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 m-85 -142.96 137.63 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.5 p -52.86 -52.58 56.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 23.4 m170 -103.43 163.68 12.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 30.7 t -71.6 -54.48 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.7 -41.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 39.3 m80 -63.04 -46.95 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 15' ' ' CYS . 22.0 tp -63.02 -61.16 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -46.8 -42.14 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -67.9 -44.34 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -67.46 -14.04 62.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -78.98 -31.72 45.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.87 -20.98 60.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.29 -29.64 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 59.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -135.7 119.39 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 t -63.22 141.58 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -101.46 -16.98 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.7 mt-10 -71.93 -38.87 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -120.85 -46.71 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.01 26.08 2.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -83.1 -174.73 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -151.17 145.96 25.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.1 m-85 -143.32 138.64 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -59.29 -47.29 85.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -106.81 156.54 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.581 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 79.0 p -66.86 -54.48 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.03 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.2 m170 -68.83 -49.6 57.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 25' ' ' SER . 27.7 tp -61.13 -60.68 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -45.52 -45.28 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -67.05 -41.79 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.1 t60 -69.39 -13.92 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -79.26 -32.05 43.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.26 -21.75 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.456 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.78 -30.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.7 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 55.1 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -125.46 119.86 29.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.09 130.34 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -92.55 -11.04 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -76.56 -39.91 51.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.5 -43.82 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.96 16.0 3.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.9 mttm -73.33 166.7 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 14' ' ' LYS . 62.7 p -139.65 144.25 37.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 3.2 m-85 -140.69 140.25 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.8 p -62.02 -34.9 77.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 6.3 m80 -115.14 160.78 19.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.59 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 26.1 p -73.61 -49.4 26.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.1 -42.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 30.2 m170 -63.99 -47.01 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -63.04 -58.43 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -48.9 -39.5 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -70.45 -42.6 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.5 t60 -69.74 -14.02 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -78.44 -35.07 47.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.25 -22.81 43.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.84 -30.65 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 73.5 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -129.38 123.57 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.4 t -59.42 125.04 22.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -90.65 14.06 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mt-10 -108.08 -37.25 6.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -122.7 -36.25 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.32 17.85 7.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 50.3 mttt -77.61 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -141.93 142.34 33.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.97 135.81 36.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 t -53.05 -51.04 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.451 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 14.3 m80 -103.56 162.96 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 80.3 p -74.62 -48.49 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.86 -36.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 32.7 m80 -68.95 -50.44 49.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -57.65 -58.65 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -48.11 -40.23 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -69.72 -42.99 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.5 t60 -71.27 -14.51 62.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -78.02 -36.0 49.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.4 mt -55.43 -23.42 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.74 -29.1 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.5 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.915 0.388 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.68 122.2 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -64.0 137.01 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.68 -14.78 21.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -72.16 -43.63 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.54 -45.56 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.96 23.69 2.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.2 mttm -80.93 171.97 14.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.6 p -140.71 138.08 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.9 m-85 -135.51 139.74 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -60.03 -51.46 69.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -99.95 154.77 18.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.9 p -67.68 -46.49 72.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.57 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -67.43 -43.22 81.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 tp -65.21 -61.83 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -45.83 -42.22 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -67.79 -42.22 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -69.88 -14.44 62.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.47 -30.79 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.41 -19.55 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -27.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 71.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.719 ' HD3' HG22 ' A' ' 21' ' ' THR . 8.5 tptm -120.0 111.75 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' GLY . 17.9 t -62.1 110.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.92 -21.04 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.62 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 15.1 mt-10 -62.17 -50.07 73.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.4 -38.64 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.69 11.96 6.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.6 mttt -67.7 164.0 20.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.719 HG22 ' HD3' ' A' ' 14' ' ' LYS . 72.2 p -134.05 144.87 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -142.05 143.04 32.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.4 p -76.17 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.0 m80 -138.39 155.72 48.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 52.1 p -68.75 -55.32 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.01 -39.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 31.1 m170 -66.78 -50.19 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' SER . 45.9 tp -61.04 -63.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 t -45.48 -43.94 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -68.41 -42.73 78.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 34' ' ' ILE . 16.4 t60 -71.22 -14.13 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -78.06 -34.01 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.32 -20.82 57.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -72.29 -29.38 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.8 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.62 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 25.3 m80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.4 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.928 0.394 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -136.46 126.47 26.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.39 119.21 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -80.8 -14.2 58.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.4 mt-10 -73.64 -40.1 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -123.36 -42.51 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 14.16 5.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.8 mttt -69.33 178.11 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -145.83 141.81 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -139.28 140.09 37.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -57.98 -49.2 77.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -105.67 160.24 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.1 t -69.63 -52.43 25.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.4 -42.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -63.61 -49.34 73.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' SER . 31.6 tp -59.87 -58.14 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -52.38 -32.39 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -77.27 -41.93 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -71.54 -14.18 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -78.3 -34.84 48.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.7 mt -58.17 -21.91 49.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -71.12 -31.94 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 72.1 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 p -152.67 144.61 23.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -97.93 86.42 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.78 72.31 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -51.34 -56.48 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -52.26 153.42 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.14 -57.37 2.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.9 p -84.92 -175.98 6.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 55.02 48.87 18.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.32 32.01 4.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -80.44 144.76 57.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -9.62 26.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.6 m-85 -122.27 123.9 42.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -137.54 120.14 16.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.69 136.58 57.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.5 -14.67 20.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.5 mt-10 -74.23 -40.64 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -119.34 -46.99 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.5 20.74 2.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.7 mttt -78.27 177.37 8.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.4 p -147.18 137.89 23.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 m-85 -134.56 138.02 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -57.6 -48.43 79.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -106.43 153.01 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 32.2 t -64.32 -53.58 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.56 -39.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -67.41 -50.46 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.9 tp -59.4 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -44.34 -44.35 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -67.71 -42.42 82.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.8 t60 -68.12 -14.41 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -77.7 -35.69 51.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.06 -21.74 23.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -71.92 -30.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.3 m-70 -76.46 -26.11 55.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.41 51.03 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 39.09 88.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -128.72 37.75 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -172.75 147.45 1.62 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.586 0.707 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.29 8.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -64.39 -177.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.61 -89.69 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.15 30.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -55.74 151.03 11.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.6 m -160.9 110.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.476 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.8 t 36.61 42.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -51.64 109.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.13 128.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -119.0 94.0 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.926 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -53.3 111.51 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.78 -146.18 18.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 p 41.78 49.02 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -123.05 49.99 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -126.13 28.04 6.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -83.5 146.36 50.13 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -7.34 20.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 -124.91 125.62 44.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HG3' HG22 ' A' ' 21' ' ' THR . 29.8 tttt -136.54 130.15 32.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -70.74 132.98 46.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -92.64 -14.21 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.2 mt-10 -75.05 -32.89 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -129.21 -44.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.2 3.67 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.5 mttm -75.82 -177.0 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 HG22 ' HG3' ' A' ' 14' ' ' LYS . 62.8 p -149.08 145.21 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -144.2 137.95 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -55.84 -52.57 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -103.22 154.58 19.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.836 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 18.9 t -63.74 -52.17 61.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -37.14 -40.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -65.36 -43.11 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' SER . 15.7 tp -65.88 -58.76 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -49.46 -41.03 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -67.52 -43.26 81.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.2 t60 -69.64 -13.97 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.46 HE21 HD11 ' A' ' 28' ' ' LEU . 39.5 mt-30 -79.48 -33.41 42.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.72 -18.28 30.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.19 -32.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 -71.39 -34.45 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.3 103.59 15.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.54 106.37 2.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -101.37 81.54 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -169.59 154.13 5.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.724 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.41 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -92.11 -57.2 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.67 -66.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 175.61 7.92 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m -120.6 -56.04 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 m -104.08 104.03 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -130.14 88.58 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 m -71.25 149.62 46.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.49 -68.82 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -80.68 154.38 27.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m -105.28 -60.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 117.84 157.36 10.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.0 t 34.1 46.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 111.136 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -135.21 115.22 13.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -142.55 123.14 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -109.58 144.25 29.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.71 -14.42 36.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 0.0 112.379 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 91.9 m-85 -113.94 117.23 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.598 ' HG3' HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -130.0 130.51 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.7 119.43 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -79.11 -11.69 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -74.52 -41.15 61.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.98 -41.36 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.6 9.84 6.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.4 mttt -65.14 171.35 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.598 HG22 ' HG3' ' A' ' 14' ' ' LYS . 71.6 p -141.01 145.76 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.08 135.99 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.0 p -59.79 -26.32 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.91 160.81 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.7 p -72.39 -55.79 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.11 -41.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -64.58 -47.21 79.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' SER . 33.7 tp -60.99 -61.2 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t -47.44 -40.49 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -69.57 -42.82 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.6 t60 -71.62 -13.88 61.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -79.76 -34.1 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.24 -17.03 16.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.0 -29.16 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 64.1 m-70 -75.56 -33.91 60.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.92 -48.76 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.08 82.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -106.46 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -160.35 145.63 11.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -7.4 20.96 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -114.67 146.31 41.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -155.03 -158.21 8.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.76 5.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.345 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.0 t -43.3 146.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -82.56 -59.66 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.466 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -107.17 -43.22 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 t -87.66 143.56 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.38 -88.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -59.42 -60.27 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 p -127.24 154.05 45.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.1 179.12 0.74 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.7 p -124.21 85.44 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.52 138.36 26.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -131.02 -39.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -44.54 143.78 1.98 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 -12.62 33.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 76.2 m-85 -122.62 123.28 40.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -134.79 116.61 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.35 131.88 49.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -94.4 -14.62 25.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.21 -32.27 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -134.65 -43.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 9.98 3.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.5 169.85 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 41.6 p -145.56 136.49 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 2.1 m-85 -142.22 139.48 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 t -59.29 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 8.0 m170 -103.52 155.66 18.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.581 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.5 p -67.28 -51.87 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.91 -38.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 33.4 m80 -67.28 -47.05 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.5 tp -62.58 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -41.2 -40.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -67.88 -48.08 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.0 t60 -66.92 -13.94 62.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.85 -33.5 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -19.53 58.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -74.24 -34.55 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -68.9 -30.74 69.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.61 -175.02 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.46 52.09 52.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -102.14 -55.89 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -163.08 153.82 14.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.615 0.722 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 144.93 55.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -122.22 153.75 38.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.29 146.67 16.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 145.37 56.62 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.652 2.235 . . . . 0.0 112.309 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 p -59.94 162.74 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t -39.43 105.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.455 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -139.41 153.35 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -139.44 178.08 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.52 148.88 18.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -91.55 152.59 20.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -97.7 -61.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.82 71.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.4 t -96.29 145.23 25.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 111.096 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 3.5 mppt? -64.78 143.82 57.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -138.56 165.39 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -46.92 156.57 0.53 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.561 0.696 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.77 -11.08 30.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 70.2 m-85 -121.49 108.65 13.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -126.87 122.33 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.06 135.03 57.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -95.0 -12.9 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -74.73 -42.36 58.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.56 -44.87 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.34 2.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 29.3 mttp -80.08 172.87 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 p -141.89 143.17 33.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.2 m-85 -139.84 141.33 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 p -57.83 -54.59 45.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -100.19 160.04 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.1 p -69.61 -48.11 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.41 -41.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -63.7 -47.06 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.39 -58.95 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -47.83 -42.15 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -68.07 -43.25 79.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.8 t60 -68.52 -13.98 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -79.05 -34.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.78 -20.57 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.53 -29.44 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -76.81 -32.09 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.7 52.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.54 -135.12 50.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 42.65 27.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 41' ' ' SER . 28.3 p-10 -137.57 144.04 43.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -1.7 8.96 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HB2' ' ND2' ' A' ' 39' ' ' ASN . 69.7 m -78.1 170.68 16.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.07 -158.16 7.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.1 7.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.217 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -112.16 -60.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -116.95 143.14 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.515 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -73.46 175.18 7.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -101.34 176.85 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.25 137.96 9.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -79.05 94.34 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -116.84 42.16 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.55 123.65 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -121.62 120.97 36.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -85.68 84.47 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -119.12 147.82 43.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -85.67 143.92 39.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.78 -8.96 24.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 47.1 m-85 -125.06 118.5 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -134.48 118.38 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.95 136.4 58.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -97.37 -14.1 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.89 -42.26 60.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -45.26 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.32 21.29 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.6 mttm -78.29 174.09 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.6 p -144.13 137.05 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -133.02 137.5 46.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -45.55 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 m170 -107.37 154.66 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 19.7 t -66.94 -53.3 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.92 -41.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.1 m80 -64.69 -47.51 78.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.9 tp -63.16 -56.95 12.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -52.44 -21.92 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.03 -37.58 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.5 t60 -75.01 -13.97 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.92 -35.56 50.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.6 -25.64 39.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 34' ' ' ILE . 1.1 pt -67.23 -33.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -74.6 -33.69 62.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.38 125.82 30.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.39 112.04 1.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 36.4 mp0 -92.88 40.85 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -107.36 74.23 0.41 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.718 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 53.4 Cg_endo -69.76 120.51 7.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -93.42 42.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.41 70.21 1.01 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.79 5.15 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.7 t -125.03 -47.27 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -123.82 91.76 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.8 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.495 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -139.66 121.41 15.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -109.44 106.45 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.9 -80.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t 51.27 43.36 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -102.24 166.12 10.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.87 139.93 11.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.7 p -64.02 110.15 2.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.154 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -98.67 45.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -112.09 63.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -106.79 143.98 28.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -7.3 20.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.6 m-85 -121.27 108.92 14.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -123.93 124.87 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -63.4 121.98 15.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -82.3 -13.25 57.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -75.33 -39.26 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -123.37 -45.28 2.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.76 10.94 4.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -66.09 -178.28 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 39.6 p -151.58 144.69 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 m-85 -142.92 144.73 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 8.5 t -85.27 29.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' SER . 4.2 m170 -173.21 126.36 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 71.6 p -52.49 -37.6 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.88 62.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 30.0 m170 -68.95 -52.23 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -54.47 -58.91 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -49.94 -40.7 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -70.53 -39.11 74.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -73.92 -13.91 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -77.94 -35.31 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.49 -24.06 43.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -69.11 -26.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -82.99 -36.87 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -55.4 113.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 64.06 -74.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' ALA . 79.7 mt-10 -36.06 110.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 27.5 t-20 -172.77 140.98 0.99 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 39' ' ' ASN . 53.4 Cg_endo -69.76 163.55 37.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.343 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 t -38.51 -60.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.69 174.94 0.87 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.509 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 -29.34 23.45 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.258 . . . . 0.0 112.26 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 m -74.25 169.63 17.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -64.75 -61.7 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.499 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -143.81 131.01 20.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -50.18 -55.71 14.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.97 55.32 7.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -129.54 175.21 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -146.77 154.59 41.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.03 131.68 6.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.6 p -92.62 158.01 16.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.174 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -103.19 41.41 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -78.2 -63.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 2.5 m170 -107.21 145.18 30.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -11.77 31.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 89.7 m-85 -113.95 117.43 31.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -126.47 130.82 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.0 t -66.85 117.3 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.57 17.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.3 mt-10 -113.88 -30.6 6.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.5 p -130.09 -31.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.17 14.63 18.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.565 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.66 -174.8 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -150.76 145.83 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 m-85 -141.93 137.28 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.1 p -51.67 -55.28 20.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -103.95 160.21 15.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 64.3 p -66.9 -53.86 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.41 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -65.22 -45.39 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.1 tp -64.53 -62.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -44.95 -41.81 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -67.8 -45.82 73.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' HD11 ' A' ' 34' ' ' ILE . 14.8 t60 -68.91 -14.24 62.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -78.37 -32.96 49.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.42 -19.64 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.74 -27.6 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.8 m-70 -78.37 -33.83 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.73 154.96 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.41 105.23 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.05 106.33 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -134.69 146.54 59.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.5 p -137.19 158.92 43.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.44 82.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.73 -14.04 35.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 t -47.23 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 43' ' ' PRO . 3.9 m -165.9 150.95 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.47 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 p -62.33 134.15 56.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.818 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -134.17 110.75 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.68 40.31 0.77 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -75.5 106.69 7.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -131.17 93.88 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.51 52.57 2.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 9' ' ' LYS . 8.8 t -92.35 -43.2 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 111.155 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 8' ' ' THR . 11.4 tppt? -71.9 136.09 46.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 2.4 pp20? -125.3 107.37 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -99.01 153.88 37.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.71 -5.12 15.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.717 2.278 . . . . 0.0 112.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 52.5 m-85 -131.57 121.26 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.669 ' HG3' HG22 ' A' ' 21' ' ' THR . 1.0 OUTLIER -133.04 127.79 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.87 115.65 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.05 -12.06 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -75.05 -40.49 60.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -125.14 -40.85 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.16 11.01 5.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.8 mttt -65.58 170.79 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.669 HG22 ' HG3' ' A' ' 14' ' ' LYS . 43.5 p -140.01 141.34 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 m-85 -140.01 132.59 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -53.64 -47.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.4 m170 -103.56 161.13 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 22.8 t -73.13 -54.65 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.24 -41.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.2 m80 -63.49 -51.35 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.8 tp -57.33 -60.04 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 p -47.95 -41.1 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.33 -45.86 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -65.0 -13.9 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -79.54 -33.44 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.99 -18.38 57.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.538 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -75.27 -31.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.4 m-70 -73.48 -31.24 63.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.07 157.23 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -101.66 88.02 0.68 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' GLY . 65.4 mt-10 -36.51 -55.4 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.43 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.3 t30 -134.66 139.99 34.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 39' ' ' ASN . 53.5 Cg_endo -69.8 92.25 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 m -136.44 105.16 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.84 -165.68 38.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 174.01 10.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.9 p -67.97 134.4 50.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -166.16 146.09 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.516 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -131.05 151.23 51.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -62.31 117.27 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.47 45.15 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -123.45 87.71 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -67.04 122.43 17.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.79 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.43 107.63 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' THR . 9.0 t -128.22 115.32 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 111.15 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -112.5 45.11 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -71.7 -59.46 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -94.54 145.5 29.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.714 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -12.94 33.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.378 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.2 m-85 -113.94 118.18 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -127.72 127.62 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.67 129.51 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -90.21 -11.72 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.6 mt-10 -77.91 -33.65 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.53 -42.98 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.7 18.88 4.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -77.02 -174.67 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.475 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.8 p -148.12 153.22 38.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 21' ' ' THR . 1.4 m-85 -149.78 131.83 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.5 p -50.4 -53.68 27.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -101.15 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 9.3 t -64.41 -55.41 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.09 -38.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -65.81 -48.39 71.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . 17.2 tp -58.73 -57.43 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -53.34 -41.64 65.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -66.77 -37.45 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -76.92 -13.87 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.56 -32.16 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.7 -24.1 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.4 ' H ' HG23 ' A' ' 34' ' ' ILE . 1.2 pt -67.56 -35.43 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 73.2 m-70 -69.75 -33.71 72.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.71 37.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.58 -4.77 79.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -89.43 45.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -132.8 63.03 65.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.23 25.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 m -129.63 42.14 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.9 -80.5 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.447 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -4.22 13.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -70.21 -177.11 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.7 m -57.31 -49.49 75.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.471 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -153.43 132.83 12.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -128.99 127.02 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.48 119.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -71.02 -52.5 19.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -122.86 174.1 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.39 61.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.3 p -102.11 158.77 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -56.65 149.05 18.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.91 -69.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -114.17 146.23 35.31 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -8.93 24.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 68.8 m-85 -118.86 112.18 19.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -125.41 133.04 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.8 t -80.68 110.75 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -70.4 -20.61 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.87 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -121.2 -40.02 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.31 14.08 5.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttp -69.01 173.08 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -143.47 140.08 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.9 m-85 -137.86 141.9 40.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -60.07 -49.57 77.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -104.88 159.27 15.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 43.6 t -68.34 -53.62 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.9 -42.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -63.54 -48.35 77.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' SER . 26.7 tp -60.97 -59.78 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -48.44 -39.75 23.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -70.31 -43.3 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.9 t60 -69.95 -15.74 63.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -77.8 -36.61 50.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.65 -22.11 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -30.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -77.04 -36.58 55.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' GLY . . . -54.92 -176.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -37.14 -53.29 1.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.31 81.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' GLY . 9.9 p30 -148.64 146.74 22.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 176.65 6.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.1 p -97.63 158.42 15.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.19 -158.55 21.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 144.78 55.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -159.74 113.46 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.7 m -59.95 102.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -124.43 41.98 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -71.8 157.37 38.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.33 46.03 3.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -90.24 138.78 31.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -85.01 134.51 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.64 141.18 9.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 8' ' ' THR . 3.1 t -119.13 75.72 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 6.0 mptt -85.46 88.31 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -116.55 175.7 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 15.5 m170 -41.81 144.07 0.86 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -11.52 31.09 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.385 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 49.6 m-85 -119.76 117.95 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -135.85 119.65 17.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.65 137.91 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -97.8 -15.3 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.54 -45.31 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.71 -44.06 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.36 20.66 3.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.4 mttm -77.63 171.78 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.8 p -141.96 144.45 33.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -141.16 138.55 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 p -60.13 -44.74 94.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -108.19 154.05 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 84.7 p -65.62 -53.49 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.49 -40.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -65.8 -51.9 55.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.0 tp -57.49 -62.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -44.53 -43.52 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -67.7 -42.64 81.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 16.0 t60 -68.82 -14.04 62.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.16 -31.25 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.52 -18.57 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.98 -28.09 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -78.03 -31.65 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.19 -56.29 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.97 139.97 1.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.01 -43.1 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -128.76 75.59 79.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 163.57 37.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -119.67 95.37 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.09 171.43 31.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -174.7 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.7 p -68.5 156.33 38.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.0 p -127.22 -58.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.51 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.3 m -42.87 -44.4 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' SER . 76.2 p -35.19 141.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.88 -44.86 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 31.5 t -39.9 -46.38 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 79.5 p -38.17 123.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.91 106.07 0.19 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.6 p -101.71 146.1 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -93.07 80.52 4.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -76.28 -49.02 18.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.471 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 4.3 m170 -101.41 144.01 27.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.83 33.71 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 58.8 m-85 -117.62 121.56 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HB2' HG22 ' A' ' 21' ' ' THR . 10.0 tmtt? -134.32 115.76 14.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -58.72 136.42 57.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.71 -16.82 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.2 mt-10 -72.06 -37.18 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.15 -42.67 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.83 16.25 5.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.2 mttt -73.14 172.41 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 14' ' ' LYS . 34.2 p -142.73 138.84 30.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -135.81 135.96 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.4 m -57.67 -42.72 84.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.5 m80 -109.31 157.93 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.1 p -70.48 -54.22 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.39 -39.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 34.5 m80 -66.97 -51.66 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.3 tp -58.4 -60.51 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 t -46.7 -40.74 13.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -71.43 -40.26 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.0 t60 -71.05 -13.91 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.45 -33.61 42.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 mt -58.22 -17.41 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.48 -30.26 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.8 m-70 -74.25 -33.32 63.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.47 63.1 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.67 113.84 4.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -163.53 151.21 12.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -126.72 143.32 46.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.658 0.742 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 97.54 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.9 p -150.01 118.36 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.88 -179.73 22.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.0 3.92 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -51.7 163.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.4 p -157.09 173.98 16.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.458 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -154.29 145.61 22.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -152.18 109.42 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.16 129.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -111.64 86.35 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 p -111.57 104.88 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -39.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -115.71 135.22 54.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -108.14 96.54 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -102.12 -51.74 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -106.22 146.28 32.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.625 0.726 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.62 24.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 79.5 m-85 -118.77 126.35 51.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 16.7 tttm -137.15 125.49 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.5 t -59.76 114.68 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -80.46 13.47 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -108.48 -31.76 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -129.24 -36.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 114.08 13.9 9.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -70.02 -174.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 67.3 p -151.76 145.32 24.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 m-85 -142.96 137.63 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.5 p -52.86 -52.58 56.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 23.4 m170 -103.43 163.68 12.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 30.7 t -71.6 -54.48 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.7 -41.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 39.3 m80 -63.04 -46.95 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 15' ' ' CYS . 22.0 tp -63.02 -61.16 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -46.8 -42.14 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -67.9 -44.34 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -67.46 -14.04 62.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -78.98 -31.72 45.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.87 -20.98 60.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.29 -29.64 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -77.09 -33.95 56.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.71 90.6 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.87 99.02 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -88.41 104.23 16.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -147.32 144.07 19.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.645 0.736 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.7 26.76 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -72.12 122.09 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.54 83.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -3.56 12.23 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.65 2.234 . . . . 0.0 112.375 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t 72.26 41.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 t -60.53 121.49 12.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 m -52.89 146.72 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -76.85 -52.81 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.1 159.48 2.59 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -94.82 84.67 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -130.38 94.58 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.26 147.7 16.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -108.59 153.4 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 111.088 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.07 73.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 20.0 mt-10 -71.9 -63.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 26.7 m-70 -166.04 154.09 9.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -12.56 33.16 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 59.1 m-85 -120.7 119.82 33.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -135.7 119.39 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 t -63.22 141.58 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -101.46 -16.98 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.7 mt-10 -71.93 -38.87 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -120.85 -46.71 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.01 26.08 2.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -83.1 -174.73 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -151.17 145.96 25.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.1 m-85 -143.32 138.64 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -59.29 -47.29 85.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -106.81 156.54 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.581 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 79.0 p -66.86 -54.48 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.03 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.2 m170 -68.83 -49.6 57.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 25' ' ' SER . 27.7 tp -61.13 -60.68 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -45.52 -45.28 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -67.05 -41.79 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.1 t60 -69.39 -13.92 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -79.26 -32.05 43.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.26 -21.75 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.456 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.78 -30.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.7 m-70 -76.42 -33.18 58.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.82 107.14 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.93 71.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.18 139.44 31.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -152.43 144.01 16.22 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.662 0.744 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 0.48 5.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.303 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -111.7 43.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.2 178.78 17.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.94 15.61 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.346 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p -55.65 154.4 6.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -75.17 84.09 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.457 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -141.59 149.13 40.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 m -40.97 -52.32 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.01 -167.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -112.43 89.0 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 m -128.73 41.9 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.99 112.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.544 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.4 p -88.44 -56.29 3.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.801 0.334 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? 47.92 44.69 18.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 14.5 mm-40 -96.19 -45.53 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 22.9 m-70 -168.89 159.81 8.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.75 -13.88 35.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 55.1 m-85 -121.63 103.74 9.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -125.46 119.86 29.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.09 130.34 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -92.55 -11.04 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -76.56 -39.91 51.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.5 -43.82 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.96 16.0 3.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.9 mttm -73.33 166.7 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 14' ' ' LYS . 62.7 p -139.65 144.25 37.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 3.2 m-85 -140.69 140.25 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.8 p -62.02 -34.9 77.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 6.3 m80 -115.14 160.78 19.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.59 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 26.1 p -73.61 -49.4 26.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.1 -42.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 30.2 m170 -63.99 -47.01 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -63.04 -58.43 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -48.9 -39.5 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -70.45 -42.6 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.5 t60 -69.74 -14.02 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -78.44 -35.07 47.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.25 -22.81 43.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.84 -30.65 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -77.24 -33.97 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.97 125.0 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.79 90.05 0.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -130.71 110.39 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -140.03 138.69 19.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.05 31.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.7 t -105.93 85.57 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 33.98 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' SER . 53.5 Cg_endo -69.81 169.41 19.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.317 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p 40.04 47.05 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -93.98 -45.46 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.504 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 m -129.32 143.49 50.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -127.3 175.83 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.57 161.68 38.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -84.4 -52.79 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t 48.49 42.14 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.35 111.61 0.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LYS . 66.6 p -37.86 -50.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.355 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' THR . 1.8 mmmm -34.48 151.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -131.46 176.35 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.402 ' ND1' ' HA ' ' A' ' 23' ' ' SER . 70.2 m-70 -65.61 155.94 84.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.712 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.13 36.48 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 73.5 m-85 -110.18 113.96 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -129.38 123.57 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.4 t -59.42 125.04 22.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -90.65 14.06 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mt-10 -108.08 -37.25 6.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -122.7 -36.25 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.32 17.85 7.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 50.3 mttt -77.61 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -141.93 142.34 33.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.97 135.81 36.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.402 ' HA ' ' ND1' ' A' ' 11' ' ' HIS . 18.2 t -53.05 -51.04 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.451 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 14.3 m80 -103.56 162.96 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 80.3 p -74.62 -48.49 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.86 -36.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 32.7 m80 -68.95 -50.44 49.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -57.65 -58.65 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -48.11 -40.23 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -69.72 -42.99 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.5 t60 -71.27 -14.51 62.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -78.02 -36.0 49.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.4 mt -55.43 -23.42 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.74 -29.1 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.5 m-70 -80.81 -38.12 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.44 -54.64 13.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.46 -54.95 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -66.2 162.7 19.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -142.59 142.77 24.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -45.03 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -161.3 125.73 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.49 146.39 7.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 173.01 11.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.3 p -117.87 139.45 51.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -134.41 111.54 10.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -44.59 -44.9 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.802 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -156.44 139.32 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.98 -156.95 30.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -133.32 152.66 51.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -53.87 -59.54 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.66 177.01 21.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' THR . 2.2 t -50.63 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.18 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -136.87 130.15 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -115.0 154.24 29.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -113.82 144.78 32.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.816 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.77 -10.98 29.88 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.334 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.1 m-85 -121.59 116.59 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.68 122.2 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -64.0 137.01 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.68 -14.78 21.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -72.16 -43.63 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.54 -45.56 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.96 23.69 2.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.2 mttm -80.93 171.97 14.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.6 p -140.71 138.08 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.9 m-85 -135.51 139.74 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -60.03 -51.46 69.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -99.95 154.77 18.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.9 p -67.68 -46.49 72.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.57 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -67.43 -43.22 81.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 tp -65.21 -61.83 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -45.83 -42.22 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -67.79 -42.22 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -69.88 -14.44 62.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.47 -30.79 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.41 -19.55 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -27.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -78.67 -36.09 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 -53.54 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.45 39.11 80.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 14.6 tp10 -76.52 -60.33 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.899 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -107.47 79.39 0.78 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 54.4 Cg_endo -69.72 85.34 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 m -67.19 125.36 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.97 145.82 4.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -4.86 14.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.242 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -44.34 116.18 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.5 p -83.47 45.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.483 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 p -122.71 140.89 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -153.59 123.69 6.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.68 47.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m -109.59 130.56 55.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 t -161.81 144.31 11.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.54 112.55 3.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.2 p -102.12 -49.11 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? 71.29 49.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 30.0 mt-10 -81.53 -32.3 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 23' ' ' SER . 24.0 m-70 -167.77 159.77 9.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -10.63 29.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 71.1 m-85 -123.42 102.1 7.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.719 ' HD3' HG22 ' A' ' 21' ' ' THR . 8.5 tptm -120.0 111.75 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' GLY . 17.9 t -62.1 110.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.92 -21.04 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 15.1 mt-10 -62.17 -50.07 73.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.4 -38.64 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.69 11.96 6.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.6 mttt -67.7 164.0 20.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.719 HG22 ' HD3' ' A' ' 14' ' ' LYS . 72.2 p -134.05 144.87 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -142.05 143.04 32.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 82.4 p -76.17 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.0 m80 -138.39 155.72 48.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 52.1 p -68.75 -55.32 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.01 -39.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 31.1 m170 -66.78 -50.19 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' SER . 45.9 tp -61.04 -63.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 t -45.48 -43.94 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -68.41 -42.73 78.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 34' ' ' ILE . 16.4 t60 -71.22 -14.13 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -78.06 -34.01 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.32 -20.82 57.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -72.29 -29.38 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.8 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.7 m-70 -76.84 -33.0 57.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.5 -175.81 5.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.93 41.99 93.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -155.41 127.34 7.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.936 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -153.68 144.19 15.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -8.44 23.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.9 t -117.27 150.06 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.04 -167.81 1.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 87.0 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -80.54 137.2 36.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 m -51.15 173.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.484 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -77.48 143.0 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -100.37 -46.63 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.07 175.27 43.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -104.48 89.35 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.397 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 t -89.72 142.79 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.11 -177.01 23.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -104.39 113.02 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 111.149 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.51 138.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG2' ' CD2' ' A' ' 11' ' ' HIS . 3.3 pm0 -133.03 15.74 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.431 ' CD2' ' HG2' ' A' ' 10' ' ' GLU . 37.8 m170 -107.1 148.52 37.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.545 0.688 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.74 -10.96 29.87 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.74 2.293 . . . . 0.0 112.369 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.4 m-85 -127.91 125.06 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -136.46 126.47 26.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.39 119.21 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -80.8 -14.2 58.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.4 mt-10 -73.64 -40.1 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -123.36 -42.51 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 14.16 5.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.8 mttt -69.33 178.11 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -145.83 141.81 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -139.28 140.09 37.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -57.98 -49.2 77.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -105.67 160.24 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.1 t -69.63 -52.43 25.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.4 -42.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -63.61 -49.34 73.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' SER . 31.6 tp -59.87 -58.14 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -52.38 -32.39 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -77.27 -41.93 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -71.54 -14.18 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -78.3 -34.84 48.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.7 mt -58.17 -21.91 49.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -71.12 -31.94 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 72.1 m-70 -74.35 -26.39 60.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.98 47.7 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.27 49.97 0.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.64 177.61 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -129.43 134.3 26.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 1.8 4.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -78.98 87.67 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.66 146.23 14.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.63 56.24 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.307 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -107.12 98.35 8.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 p -97.99 155.26 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.487 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.6 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -137.54 120.14 16.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.69 136.58 57.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.5 -14.67 20.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.5 mt-10 -74.23 -40.64 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -119.34 -46.99 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.5 20.74 2.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.7 mttt -78.27 177.37 8.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.4 p -147.18 137.89 23.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 m-85 -134.56 138.02 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -57.6 -48.43 79.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -106.43 153.01 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 32.2 t -64.32 -53.58 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.56 -39.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -67.41 -50.46 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.9 tp -59.4 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -44.34 -44.35 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -67.71 -42.42 82.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.8 t60 -68.12 -14.41 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -77.7 -35.69 51.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.06 -21.74 23.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -71.92 -30.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.3 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.936 0.398 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HG3' HG22 ' A' ' 21' ' ' THR . 29.8 tttt -136.54 130.15 32.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -70.74 132.98 46.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -92.64 -14.21 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.2 mt-10 -75.05 -32.89 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -129.21 -44.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.2 3.67 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.5 mttm -75.82 -177.0 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 HG22 ' HG3' ' A' ' 14' ' ' LYS . 62.8 p -149.08 145.21 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -144.2 137.95 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -55.84 -52.57 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -103.22 154.58 19.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.836 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 18.9 t -63.74 -52.17 61.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -37.14 -40.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -65.36 -43.11 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' SER . 15.7 tp -65.88 -58.76 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -49.46 -41.03 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -67.52 -43.26 81.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.2 t60 -69.64 -13.97 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.46 HE21 HD11 ' A' ' 28' ' ' LEU . 39.5 mt-30 -79.48 -33.41 42.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.72 -18.28 30.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.19 -32.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 91.9 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.598 ' HG3' HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -130.0 130.51 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.7 119.43 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -79.11 -11.69 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -74.52 -41.15 61.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.98 -41.36 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.6 9.84 6.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.4 mttt -65.14 171.35 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.598 HG22 ' HG3' ' A' ' 14' ' ' LYS . 71.6 p -141.01 145.76 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.08 135.99 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.0 p -59.79 -26.32 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.91 160.81 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.7 p -72.39 -55.79 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.11 -41.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -64.58 -47.21 79.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' SER . 33.7 tp -60.99 -61.2 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t -47.44 -40.49 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -69.57 -42.82 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.6 t60 -71.62 -13.88 61.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -79.76 -34.1 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.24 -17.03 16.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.0 -29.16 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 64.1 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 76.2 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -134.79 116.61 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.35 131.88 49.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -94.4 -14.62 25.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.21 -32.27 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -134.65 -43.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 9.98 3.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.5 169.85 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 41.6 p -145.56 136.49 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 2.1 m-85 -142.22 139.48 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 t -59.29 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 8.0 m170 -103.52 155.66 18.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.581 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.5 p -67.28 -51.87 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.91 -38.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 33.4 m80 -67.28 -47.05 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.5 tp -62.58 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -41.2 -40.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -67.88 -48.08 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.0 t60 -66.92 -13.94 62.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.85 -33.5 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -19.53 58.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -74.24 -34.55 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 70.2 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -126.87 122.33 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.06 135.03 57.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -95.0 -12.9 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -74.73 -42.36 58.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.56 -44.87 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.34 2.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 29.3 mttp -80.08 172.87 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 p -141.89 143.17 33.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.2 m-85 -139.84 141.33 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 p -57.83 -54.59 45.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -100.19 160.04 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.1 p -69.61 -48.11 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.41 -41.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -63.7 -47.06 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.39 -58.95 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -47.83 -42.15 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -68.07 -43.25 79.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.8 t60 -68.52 -13.98 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -79.05 -34.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.78 -20.57 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.53 -29.44 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 47.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.931 0.396 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -134.48 118.38 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.95 136.4 58.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -97.37 -14.1 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.89 -42.26 60.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -45.26 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.32 21.29 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.6 mttm -78.29 174.09 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.6 p -144.13 137.05 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -133.02 137.5 46.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -45.55 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 m170 -107.37 154.66 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 19.7 t -66.94 -53.3 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.92 -41.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.1 m80 -64.69 -47.51 78.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.9 tp -63.16 -56.95 12.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -52.44 -21.92 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.03 -37.58 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.5 t60 -75.01 -13.97 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.92 -35.56 50.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.6 -25.64 39.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 34' ' ' ILE . 1.1 pt -67.23 -33.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -123.93 124.87 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -63.4 121.98 15.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -82.3 -13.25 57.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -75.33 -39.26 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -123.37 -45.28 2.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.76 10.94 4.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -66.09 -178.28 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 39.6 p -151.58 144.69 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 m-85 -142.92 144.73 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 8.5 t -85.27 29.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' SER . 4.2 m170 -173.21 126.36 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 71.6 p -52.49 -37.6 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.88 62.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 30.0 m170 -68.95 -52.23 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -54.47 -58.91 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -49.94 -40.7 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -70.53 -39.11 74.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -73.92 -13.91 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -77.94 -35.31 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.49 -24.06 43.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -69.11 -26.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 89.7 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -126.47 130.82 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.0 t -66.85 117.3 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.57 17.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.3 mt-10 -113.88 -30.6 6.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.5 p -130.09 -31.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.17 14.63 18.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.565 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.66 -174.8 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -150.76 145.83 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 m-85 -141.93 137.28 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.1 p -51.67 -55.28 20.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -103.95 160.21 15.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 64.3 p -66.9 -53.86 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.41 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -65.22 -45.39 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.1 tp -64.53 -62.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -44.95 -41.81 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -67.8 -45.82 73.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' HD11 ' A' ' 34' ' ' ILE . 14.8 t60 -68.91 -14.24 62.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -78.37 -32.96 49.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.42 -19.64 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.74 -27.6 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.8 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 52.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.946 0.403 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.669 ' HG3' HG22 ' A' ' 21' ' ' THR . 1.0 OUTLIER -133.04 127.79 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.87 115.65 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.05 -12.06 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -75.05 -40.49 60.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -125.14 -40.85 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.16 11.01 5.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.8 mttt -65.58 170.79 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.669 HG22 ' HG3' ' A' ' 14' ' ' LYS . 43.5 p -140.01 141.34 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 m-85 -140.01 132.59 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -53.64 -47.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.4 m170 -103.56 161.13 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 22.8 t -73.13 -54.65 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.24 -41.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.2 m80 -63.49 -51.35 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.8 tp -57.33 -60.04 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 p -47.95 -41.1 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.33 -45.86 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -65.0 -13.9 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -79.54 -33.44 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.99 -18.38 57.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.538 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -75.27 -31.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.4 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.2 m-85 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -127.72 127.62 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.67 129.51 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -90.21 -11.72 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.6 mt-10 -77.91 -33.65 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.53 -42.98 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.7 18.88 4.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -77.02 -174.67 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.475 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.8 p -148.12 153.22 38.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 21' ' ' THR . 1.4 m-85 -149.78 131.83 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.5 p -50.4 -53.68 27.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -101.15 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 9.3 t -64.41 -55.41 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.09 -38.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -65.81 -48.39 71.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . 17.2 tp -58.73 -57.43 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -53.34 -41.64 65.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -66.77 -37.45 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -76.92 -13.87 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.56 -32.16 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.7 -24.1 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.4 ' H ' HG23 ' A' ' 34' ' ' ILE . 1.2 pt -67.56 -35.43 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 73.2 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 68.8 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.932 0.396 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -125.41 133.04 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.8 t -80.68 110.75 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -70.4 -20.61 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.87 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -121.2 -40.02 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.31 14.08 5.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttp -69.01 173.08 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -143.47 140.08 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.9 m-85 -137.86 141.9 40.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -60.07 -49.57 77.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -104.88 159.27 15.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 43.6 t -68.34 -53.62 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.9 -42.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -63.54 -48.35 77.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 HD11 HE21 ' A' ' 32' ' ' GLN . 26.7 tp -60.97 -59.78 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -48.44 -39.75 23.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -70.31 -43.3 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.9 t60 -69.95 -15.74 63.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.491 HE21 HD11 ' A' ' 28' ' ' LEU . 45.0 mt-30 -77.8 -36.61 50.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.65 -22.11 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -30.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 49.6 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -135.85 119.65 17.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.65 137.91 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -97.8 -15.3 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.54 -45.31 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.71 -44.06 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.36 20.66 3.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.4 mttm -77.63 171.78 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.8 p -141.96 144.45 33.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -141.16 138.55 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 p -60.13 -44.74 94.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -108.19 154.05 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 84.7 p -65.62 -53.49 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.49 -40.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -65.8 -51.9 55.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.0 tp -57.49 -62.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -44.53 -43.52 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -67.7 -42.64 81.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 16.0 t60 -68.82 -14.04 62.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.16 -31.25 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.52 -18.57 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.98 -28.09 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 58.8 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.908 0.385 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HB2' HG22 ' A' ' 21' ' ' THR . 10.0 tmtt? -134.32 115.76 14.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -58.72 136.42 57.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.71 -16.82 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.2 mt-10 -72.06 -37.18 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.15 -42.67 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.83 16.25 5.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.2 mttt -73.14 172.41 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 14' ' ' LYS . 34.2 p -142.73 138.84 30.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -135.81 135.96 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.4 m -57.67 -42.72 84.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.5 m80 -109.31 157.93 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.1 p -70.48 -54.22 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.39 -39.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 34.5 m80 -66.97 -51.66 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.3 tp -58.4 -60.51 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 t -46.7 -40.74 13.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -71.43 -40.26 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.0 t60 -71.05 -13.91 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.45 -33.61 42.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 mt -58.22 -17.41 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.48 -30.26 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 79.5 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 16.7 tttm -137.15 125.49 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.5 t -59.76 114.68 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -80.46 13.47 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -108.48 -31.76 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -129.24 -36.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.428 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 114.08 13.9 9.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -70.02 -174.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 67.3 p -151.76 145.32 24.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 m-85 -142.96 137.63 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.5 p -52.86 -52.58 56.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 23.4 m170 -103.43 163.68 12.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 30.7 t -71.6 -54.48 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.7 -41.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 39.3 m80 -63.04 -46.95 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 15' ' ' CYS . 22.0 tp -63.02 -61.16 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -46.8 -42.14 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -67.9 -44.34 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -67.46 -14.04 62.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -78.98 -31.72 45.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.87 -20.98 60.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.29 -29.64 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 59.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -135.7 119.39 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 t -63.22 141.58 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -101.46 -16.98 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.7 mt-10 -71.93 -38.87 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -120.85 -46.71 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.01 26.08 2.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -83.1 -174.73 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -151.17 145.96 25.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.1 m-85 -143.32 138.64 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -59.29 -47.29 85.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -106.81 156.54 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.581 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 79.0 p -66.86 -54.48 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.03 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.2 m170 -68.83 -49.6 57.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 25' ' ' SER . 27.7 tp -61.13 -60.68 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -45.52 -45.28 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -67.05 -41.79 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.1 t60 -69.39 -13.92 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -79.26 -32.05 43.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.26 -21.75 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.456 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.78 -30.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.7 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 55.1 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -125.46 119.86 29.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.09 130.34 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -92.55 -11.04 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -76.56 -39.91 51.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.5 -43.82 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.96 16.0 3.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.9 mttm -73.33 166.7 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 14' ' ' LYS . 62.7 p -139.65 144.25 37.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 3.2 m-85 -140.69 140.25 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.8 p -62.02 -34.9 77.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 6.3 m80 -115.14 160.78 19.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.59 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 26.1 p -73.61 -49.4 26.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.1 -42.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 30.2 m170 -63.99 -47.01 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -63.04 -58.43 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -48.9 -39.5 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -70.45 -42.6 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.5 t60 -69.74 -14.02 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -78.44 -35.07 47.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.25 -22.81 43.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.84 -30.65 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 73.5 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -129.38 123.57 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.4 t -59.42 125.04 22.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -90.65 14.06 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mt-10 -108.08 -37.25 6.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -122.7 -36.25 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.32 17.85 7.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 50.3 mttt -77.61 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -141.93 142.34 33.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.97 135.81 36.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 t -53.05 -51.04 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.451 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 14.3 m80 -103.56 162.96 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 80.3 p -74.62 -48.49 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.86 -36.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 32.7 m80 -68.95 -50.44 49.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -57.65 -58.65 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -48.11 -40.23 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -69.72 -42.99 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.5 t60 -71.27 -14.51 62.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -78.02 -36.0 49.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.4 mt -55.43 -23.42 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.74 -29.1 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.5 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.915 0.388 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.68 122.2 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -64.0 137.01 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.68 -14.78 21.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -72.16 -43.63 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.54 -45.56 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.96 23.69 2.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.2 mttm -80.93 171.97 14.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.6 p -140.71 138.08 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.9 m-85 -135.51 139.74 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -60.03 -51.46 69.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -99.95 154.77 18.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.9 p -67.68 -46.49 72.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.57 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -67.43 -43.22 81.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 tp -65.21 -61.83 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -45.83 -42.22 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -67.79 -42.22 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -69.88 -14.44 62.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.47 -30.79 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.41 -19.55 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -27.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 71.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.719 ' HD3' HG22 ' A' ' 21' ' ' THR . 8.5 tptm -120.0 111.75 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' GLY . 17.9 t -62.1 110.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.92 -21.04 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 15.1 mt-10 -62.17 -50.07 73.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.4 -38.64 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.69 11.96 6.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.6 mttt -67.7 164.0 20.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.719 HG22 ' HD3' ' A' ' 14' ' ' LYS . 72.2 p -134.05 144.87 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -142.05 143.04 32.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.4 p -76.17 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.0 m80 -138.39 155.72 48.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 52.1 p -68.75 -55.32 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.01 -39.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 31.1 m170 -66.78 -50.19 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' SER . 45.9 tp -61.04 -63.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 t -45.48 -43.94 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -68.41 -42.73 78.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 34' ' ' ILE . 16.4 t60 -71.22 -14.13 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -78.06 -34.01 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.32 -20.82 57.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -72.29 -29.38 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.7 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.4 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.928 0.394 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -136.46 126.47 26.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.39 119.21 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -80.8 -14.2 58.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.4 mt-10 -73.64 -40.1 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -123.36 -42.51 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 14.16 5.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.8 mttt -69.33 178.11 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -145.83 141.81 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -139.28 140.09 37.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -57.98 -49.2 77.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -105.67 160.24 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.1 t -69.63 -52.43 25.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.4 -42.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -63.61 -49.34 73.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' SER . 31.6 tp -59.87 -58.14 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -52.38 -32.39 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -77.27 -41.93 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -71.54 -14.18 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -78.3 -34.84 48.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.7 mt -58.17 -21.91 49.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -71.12 -31.94 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 72.1 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 p -152.67 144.61 23.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -97.93 86.42 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.78 72.31 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -51.34 -56.48 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -52.26 153.42 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.14 -57.37 2.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.9 p -84.92 -175.98 6.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 55.02 48.87 18.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.32 32.01 4.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -80.44 144.76 57.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -9.62 26.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.6 m-85 -122.27 123.9 42.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -137.54 120.14 16.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.69 136.58 57.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.5 -14.67 20.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.5 mt-10 -74.23 -40.64 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -119.34 -46.99 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.5 20.74 2.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.7 mttt -78.27 177.37 8.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.4 p -147.18 137.89 23.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 m-85 -134.56 138.02 44.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -57.6 -48.43 79.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -106.43 153.01 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 32.2 t -64.32 -53.58 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.56 -39.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -67.41 -50.46 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.9 tp -59.4 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -44.34 -44.35 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -67.71 -42.42 82.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.8 t60 -68.12 -14.41 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -77.7 -35.69 51.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.06 -21.74 23.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -71.92 -30.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.3 m-70 -76.46 -26.11 55.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.41 51.03 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 39.09 88.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -128.72 37.75 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -172.75 147.45 1.62 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.586 0.707 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.29 8.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -64.39 -177.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.61 -89.69 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.15 30.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -55.74 151.03 11.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.6 m -160.9 110.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.476 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.8 t 36.61 42.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -51.64 109.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.13 128.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -119.0 94.0 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.926 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -53.3 111.51 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.78 -146.18 18.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 p 41.78 49.02 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -123.05 49.99 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -126.13 28.04 6.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -83.5 146.36 50.13 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -7.34 20.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 -124.91 125.62 44.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HG3' HG22 ' A' ' 21' ' ' THR . 29.8 tttt -136.54 130.15 32.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -70.74 132.98 46.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -92.64 -14.21 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 19.2 mt-10 -75.05 -32.89 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -129.21 -44.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.2 3.67 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.5 mttm -75.82 -177.0 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 HG22 ' HG3' ' A' ' 14' ' ' LYS . 62.8 p -149.08 145.21 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -144.2 137.95 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -55.84 -52.57 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -103.22 154.58 19.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.836 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 18.9 t -63.74 -52.17 61.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -37.14 -40.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -65.36 -43.11 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' SER . 15.7 tp -65.88 -58.76 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -49.46 -41.03 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -67.52 -43.26 81.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.2 t60 -69.64 -13.97 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.46 HE21 HD11 ' A' ' 28' ' ' LEU . 39.5 mt-30 -79.48 -33.41 42.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.72 -18.28 30.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.19 -32.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 -71.39 -34.45 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.3 103.59 15.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.54 106.37 2.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -101.37 81.54 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -169.59 154.13 5.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.724 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.41 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -92.11 -57.2 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.67 -66.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 175.61 7.92 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m -120.6 -56.04 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 m -104.08 104.03 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -130.14 88.58 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 m -71.25 149.62 46.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.49 -68.82 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -80.68 154.38 27.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m -105.28 -60.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 117.84 157.36 10.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.0 t 34.1 46.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 111.136 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -135.21 115.22 13.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -142.55 123.14 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -109.58 144.25 29.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.71 -14.42 36.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 0.0 112.379 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 91.9 m-85 -113.94 117.23 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.598 ' HG3' HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -130.0 130.51 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.7 119.43 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -79.11 -11.69 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -74.52 -41.15 61.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.98 -41.36 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.6 9.84 6.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.4 mttt -65.14 171.35 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.598 HG22 ' HG3' ' A' ' 14' ' ' LYS . 71.6 p -141.01 145.76 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.08 135.99 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.0 p -59.79 -26.32 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.91 160.81 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.7 p -72.39 -55.79 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.11 -41.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -64.58 -47.21 79.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' SER . 33.7 tp -60.99 -61.2 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t -47.44 -40.49 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -69.57 -42.82 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.6 t60 -71.62 -13.88 61.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -79.76 -34.1 40.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.24 -17.03 16.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.0 -29.16 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 64.1 m-70 -75.56 -33.91 60.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.92 -48.76 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.08 82.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -106.46 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -160.35 145.63 11.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -7.4 20.96 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -114.67 146.31 41.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -155.03 -158.21 8.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.76 5.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.345 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.0 t -43.3 146.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -82.56 -59.66 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.466 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -107.17 -43.22 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 t -87.66 143.56 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.38 -88.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -59.42 -60.27 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 p -127.24 154.05 45.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.1 179.12 0.74 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.7 p -124.21 85.44 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.52 138.36 26.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -131.02 -39.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -44.54 143.78 1.98 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 -12.62 33.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 76.2 m-85 -122.62 123.28 40.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -134.79 116.61 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.35 131.88 49.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -94.4 -14.62 25.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.21 -32.27 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -134.65 -43.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 9.98 3.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.5 169.85 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 41.6 p -145.56 136.49 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 2.1 m-85 -142.22 139.48 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 t -59.29 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 8.0 m170 -103.52 155.66 18.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.581 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.5 p -67.28 -51.87 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.91 -38.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 33.4 m80 -67.28 -47.05 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.5 tp -62.58 -63.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -41.2 -40.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -67.88 -48.08 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.0 t60 -66.92 -13.94 62.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.85 -33.5 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -19.53 58.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -74.24 -34.55 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -68.9 -30.74 69.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.61 -175.02 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.46 52.09 52.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -102.14 -55.89 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -163.08 153.82 14.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.615 0.722 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 144.93 55.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -122.22 153.75 38.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.29 146.67 16.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 145.37 56.62 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.652 2.235 . . . . 0.0 112.309 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 p -59.94 162.74 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t -39.43 105.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.455 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -139.41 153.35 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -139.44 178.08 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.52 148.88 18.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -91.55 152.59 20.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -97.7 -61.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.82 71.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.4 t -96.29 145.23 25.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 111.096 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 3.5 mppt? -64.78 143.82 57.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -138.56 165.39 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -46.92 156.57 0.53 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.561 0.696 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.77 -11.08 30.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 70.2 m-85 -121.49 108.65 13.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -126.87 122.33 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.06 135.03 57.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -95.0 -12.9 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -74.73 -42.36 58.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.56 -44.87 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.34 2.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 29.3 mttp -80.08 172.87 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.4 p -141.89 143.17 33.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.2 m-85 -139.84 141.33 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 p -57.83 -54.59 45.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -100.19 160.04 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 60.1 p -69.61 -48.11 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.41 -41.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -63.7 -47.06 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.39 -58.95 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -47.83 -42.15 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -68.07 -43.25 79.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.8 t60 -68.52 -13.98 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -79.05 -34.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.78 -20.57 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.53 -29.44 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -76.81 -32.09 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.7 52.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.54 -135.12 50.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 42.65 27.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 41' ' ' SER . 28.3 p-10 -137.57 144.04 43.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -1.7 8.96 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HB2' ' ND2' ' A' ' 39' ' ' ASN . 69.7 m -78.1 170.68 16.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.07 -158.16 7.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.1 7.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.217 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -112.16 -60.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -116.95 143.14 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.515 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -73.46 175.18 7.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -101.34 176.85 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.25 137.96 9.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -79.05 94.34 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -116.84 42.16 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.55 123.65 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -121.62 120.97 36.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -85.68 84.47 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -119.12 147.82 43.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -85.67 143.92 39.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.78 -8.96 24.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 47.1 m-85 -125.06 118.5 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -134.48 118.38 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.95 136.4 58.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -97.37 -14.1 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.89 -42.26 60.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -45.26 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.32 21.29 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.6 mttm -78.29 174.09 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.6 p -144.13 137.05 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -133.02 137.5 46.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -45.55 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 m170 -107.37 154.66 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 19.7 t -66.94 -53.3 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.92 -41.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.1 m80 -64.69 -47.51 78.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.9 tp -63.16 -56.95 12.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -52.44 -21.92 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.03 -37.58 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.5 t60 -75.01 -13.97 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.92 -35.56 50.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.6 -25.64 39.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 34' ' ' ILE . 1.1 pt -67.23 -33.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -74.6 -33.69 62.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.38 125.82 30.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.39 112.04 1.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 36.4 mp0 -92.88 40.85 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -107.36 74.23 0.41 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.718 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 53.4 Cg_endo -69.76 120.51 7.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -93.42 42.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.41 70.21 1.01 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.79 5.15 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.7 t -125.03 -47.27 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -123.82 91.76 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.8 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.495 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -139.66 121.41 15.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -109.44 106.45 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.9 -80.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t 51.27 43.36 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -102.24 166.12 10.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.87 139.93 11.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.7 p -64.02 110.15 2.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.154 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -98.67 45.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -112.09 63.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -106.79 143.98 28.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -7.3 20.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.6 m-85 -121.27 108.92 14.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -123.93 124.87 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -63.4 121.98 15.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -82.3 -13.25 57.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -75.33 -39.26 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -123.37 -45.28 2.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.76 10.94 4.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -66.09 -178.28 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 39.6 p -151.58 144.69 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 m-85 -142.92 144.73 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 8.5 t -85.27 29.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' SER . 4.2 m170 -173.21 126.36 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 71.6 p -52.49 -37.6 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.88 62.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 30.0 m170 -68.95 -52.23 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -54.47 -58.91 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -49.94 -40.7 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -70.53 -39.11 74.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -73.92 -13.91 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -77.94 -35.31 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.49 -24.06 43.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -69.11 -26.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -82.99 -36.87 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -55.4 113.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 64.06 -74.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' ALA . 79.7 mt-10 -36.06 110.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 27.5 t-20 -172.77 140.98 0.99 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 39' ' ' ASN . 53.4 Cg_endo -69.76 163.55 37.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.343 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 t -38.51 -60.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.69 174.94 0.87 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.509 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 -29.34 23.45 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.258 . . . . 0.0 112.26 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 m -74.25 169.63 17.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -64.75 -61.7 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.499 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -143.81 131.01 20.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -50.18 -55.71 14.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.97 55.32 7.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -129.54 175.21 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -146.77 154.59 41.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.03 131.68 6.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.6 p -92.62 158.01 16.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.174 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -103.19 41.41 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -78.2 -63.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 2.5 m170 -107.21 145.18 30.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -11.77 31.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 89.7 m-85 -113.95 117.43 31.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -126.47 130.82 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.0 t -66.85 117.3 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.57 17.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.3 mt-10 -113.88 -30.6 6.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.5 p -130.09 -31.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.17 14.63 18.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.565 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -72.66 -174.8 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -150.76 145.83 26.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 m-85 -141.93 137.28 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.1 p -51.67 -55.28 20.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -103.95 160.21 15.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 64.3 p -66.9 -53.86 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.41 -40.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -65.22 -45.39 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' SER . 30.1 tp -64.53 -62.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -44.95 -41.81 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -67.8 -45.82 73.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' HD11 ' A' ' 34' ' ' ILE . 14.8 t60 -68.91 -14.24 62.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -78.37 -32.96 49.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.42 -19.64 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -73.74 -27.6 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.8 m-70 -78.37 -33.83 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.73 154.96 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.41 105.23 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.05 106.33 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -134.69 146.54 59.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.5 p -137.19 158.92 43.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.44 82.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.73 -14.04 35.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 t -47.23 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 43' ' ' PRO . 3.9 m -165.9 150.95 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.47 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 p -62.33 134.15 56.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.818 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -134.17 110.75 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.68 40.31 0.77 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -75.5 106.69 7.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -131.17 93.88 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.51 52.57 2.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 9' ' ' LYS . 8.8 t -92.35 -43.2 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 111.155 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 8' ' ' THR . 11.4 tppt? -71.9 136.09 46.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 2.4 pp20? -125.3 107.37 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -99.01 153.88 37.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.71 -5.12 15.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.717 2.278 . . . . 0.0 112.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 52.5 m-85 -131.57 121.26 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.669 ' HG3' HG22 ' A' ' 21' ' ' THR . 1.0 OUTLIER -133.04 127.79 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.87 115.65 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.05 -12.06 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -75.05 -40.49 60.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -125.14 -40.85 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.16 11.01 5.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.8 mttt -65.58 170.79 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.669 HG22 ' HG3' ' A' ' 14' ' ' LYS . 43.5 p -140.01 141.34 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 m-85 -140.01 132.59 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -53.64 -47.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.4 m170 -103.56 161.13 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 22.8 t -73.13 -54.65 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.24 -41.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 36.2 m80 -63.49 -51.35 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' SER . 24.8 tp -57.33 -60.04 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 p -47.95 -41.1 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -69.33 -45.86 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -65.0 -13.9 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -79.54 -33.44 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.99 -18.38 57.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.538 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -75.27 -31.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.4 m-70 -73.48 -31.24 63.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.07 157.23 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -101.66 88.02 0.68 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' GLY . 65.4 mt-10 -36.51 -55.4 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.43 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.3 t30 -134.66 139.99 34.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 39' ' ' ASN . 53.5 Cg_endo -69.8 92.25 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 m -136.44 105.16 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.84 -165.68 38.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 174.01 10.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.9 p -67.97 134.4 50.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -166.16 146.09 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.516 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -131.05 151.23 51.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -62.31 117.27 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.47 45.15 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -123.45 87.71 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -67.04 122.43 17.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.79 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.43 107.63 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' THR . 9.0 t -128.22 115.32 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 111.15 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -112.5 45.11 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -71.7 -59.46 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -94.54 145.5 29.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.714 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -12.94 33.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.378 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.2 m-85 -113.94 118.18 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -127.72 127.62 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.67 129.51 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -90.21 -11.72 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.6 mt-10 -77.91 -33.65 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.53 -42.98 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.7 18.88 4.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -77.02 -174.67 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.475 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.8 p -148.12 153.22 38.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 21' ' ' THR . 1.4 m-85 -149.78 131.83 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.5 p -50.4 -53.68 27.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -101.15 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 9.3 t -64.41 -55.41 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.09 -38.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -65.81 -48.39 71.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . 17.2 tp -58.73 -57.43 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -53.34 -41.64 65.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -66.77 -37.45 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -76.92 -13.87 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.56 -32.16 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.7 -24.1 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.4 ' H ' HG23 ' A' ' 34' ' ' ILE . 1.2 pt -67.56 -35.43 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 73.2 m-70 -69.75 -33.71 72.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.71 37.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.58 -4.77 79.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -89.43 45.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -132.8 63.03 65.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.23 25.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 m -129.63 42.14 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.9 -80.5 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.447 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -4.22 13.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -70.21 -177.11 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.7 m -57.31 -49.49 75.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.471 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -153.43 132.83 12.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -128.99 127.02 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.48 119.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -71.02 -52.5 19.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -122.86 174.1 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.39 61.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.3 p -102.11 158.77 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -56.65 149.05 18.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.91 -69.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -114.17 146.23 35.31 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -8.93 24.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 68.8 m-85 -118.86 112.18 19.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -125.41 133.04 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.8 t -80.68 110.75 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -70.4 -20.61 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.87 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -121.2 -40.02 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.31 14.08 5.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttp -69.01 173.08 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 p -143.47 140.08 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.9 m-85 -137.86 141.9 40.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -60.07 -49.57 77.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -104.88 159.27 15.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 43.6 t -68.34 -53.62 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.9 -42.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -63.54 -48.35 77.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 HD11 HE21 ' A' ' 32' ' ' GLN . 26.7 tp -60.97 -59.78 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -48.44 -39.75 23.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -70.31 -43.3 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.9 t60 -69.95 -15.74 63.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.491 HE21 HD11 ' A' ' 28' ' ' LEU . 45.0 mt-30 -77.8 -36.61 50.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.65 -22.11 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -30.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -77.04 -36.58 55.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' GLY . . . -54.92 -176.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -37.14 -53.29 1.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.31 81.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' GLY . 9.9 p30 -148.64 146.74 22.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 176.65 6.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.1 p -97.63 158.42 15.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.19 -158.55 21.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 144.78 55.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -159.74 113.46 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.7 m -59.95 102.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -124.43 41.98 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -71.8 157.37 38.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.33 46.03 3.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -90.24 138.78 31.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -85.01 134.51 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.64 141.18 9.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 8' ' ' THR . 3.1 t -119.13 75.72 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 6.0 mptt -85.46 88.31 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -116.55 175.7 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 15.5 m170 -41.81 144.07 0.86 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -11.52 31.09 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.385 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 49.6 m-85 -119.76 117.95 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -135.85 119.65 17.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.65 137.91 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -97.8 -15.3 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.54 -45.31 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.71 -44.06 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.36 20.66 3.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.4 mttm -77.63 171.78 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.8 p -141.96 144.45 33.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -141.16 138.55 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 p -60.13 -44.74 94.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -108.19 154.05 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 84.7 p -65.62 -53.49 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.49 -40.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -65.8 -51.9 55.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.0 tp -57.49 -62.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -44.53 -43.52 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -67.7 -42.64 81.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 16.0 t60 -68.82 -14.04 62.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.16 -31.25 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.52 -18.57 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.98 -28.09 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -78.03 -31.65 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.19 -56.29 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.97 139.97 1.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.01 -43.1 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -128.76 75.59 79.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 163.57 37.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -119.67 95.37 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.09 171.43 31.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -174.7 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.7 p -68.5 156.33 38.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.0 p -127.22 -58.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.51 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.3 m -42.87 -44.4 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' SER . 76.2 p -35.19 141.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.88 -44.86 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 31.5 t -39.9 -46.38 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 79.5 p -38.17 123.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.91 106.07 0.19 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.6 p -101.71 146.1 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -93.07 80.52 4.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -76.28 -49.02 18.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.471 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 4.3 m170 -101.41 144.01 27.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.83 33.71 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 58.8 m-85 -117.62 121.56 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HB2' HG22 ' A' ' 21' ' ' THR . 10.0 tmtt? -134.32 115.76 14.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -58.72 136.42 57.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.71 -16.82 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.2 mt-10 -72.06 -37.18 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.15 -42.67 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.83 16.25 5.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.2 mttt -73.14 172.41 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 14' ' ' LYS . 34.2 p -142.73 138.84 30.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.0 m-85 -135.81 135.96 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.4 m -57.67 -42.72 84.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 12.5 m80 -109.31 157.93 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.1 p -70.48 -54.22 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.39 -39.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 34.5 m80 -66.97 -51.66 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.3 tp -58.4 -60.51 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 t -46.7 -40.74 13.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -71.43 -40.26 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.0 t60 -71.05 -13.91 62.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.45 -33.61 42.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 mt -58.22 -17.41 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.48 -30.26 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.8 m-70 -74.25 -33.32 63.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.47 63.1 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.67 113.84 4.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -163.53 151.21 12.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -126.72 143.32 46.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.658 0.742 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 97.54 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.9 p -150.01 118.36 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.88 -179.73 22.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.0 3.92 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -51.7 163.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.4 p -157.09 173.98 16.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.458 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -154.29 145.61 22.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -152.18 109.42 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.16 129.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -111.64 86.35 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 p -111.57 104.88 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -39.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -115.71 135.22 54.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -108.14 96.54 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -102.12 -51.74 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -106.22 146.28 32.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.625 0.726 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.62 24.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 79.5 m-85 -118.77 126.35 51.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 16.7 tttm -137.15 125.49 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.5 t -59.76 114.68 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -80.46 13.47 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -108.48 -31.76 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -129.24 -36.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 114.08 13.9 9.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -70.02 -174.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.418 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 67.3 p -151.76 145.32 24.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 m-85 -142.96 137.63 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.5 p -52.86 -52.58 56.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 23.4 m170 -103.43 163.68 12.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 30.7 t -71.6 -54.48 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.7 -41.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 24' ' ' HIS . 39.3 m80 -63.04 -46.95 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 15' ' ' CYS . 22.0 tp -63.02 -61.16 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -46.8 -42.14 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -67.9 -44.34 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -67.46 -14.04 62.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -78.98 -31.72 45.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.87 -20.98 60.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.29 -29.64 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -77.09 -33.95 56.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.71 90.6 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.87 99.02 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -88.41 104.23 16.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -147.32 144.07 19.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.645 0.736 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.7 26.76 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -72.12 122.09 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.54 83.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -3.56 12.23 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.65 2.234 . . . . 0.0 112.375 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t 72.26 41.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 t -60.53 121.49 12.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 m -52.89 146.72 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -76.85 -52.81 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.1 159.48 2.59 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -94.82 84.67 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -130.38 94.58 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.26 147.7 16.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -108.59 153.4 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 111.088 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.07 73.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 20.0 mt-10 -71.9 -63.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 26.7 m-70 -166.04 154.09 9.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -12.56 33.16 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 59.1 m-85 -120.7 119.82 33.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -135.7 119.39 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 t -63.22 141.58 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -101.46 -16.98 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.7 mt-10 -71.93 -38.87 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -120.85 -46.71 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.01 26.08 2.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -83.1 -174.73 5.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -151.17 145.96 25.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.1 m-85 -143.32 138.64 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -59.29 -47.29 85.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -106.81 156.54 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.581 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 79.0 p -66.86 -54.48 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -34.03 -37.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' SER . 34.2 m170 -68.83 -49.6 57.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 25' ' ' SER . 27.7 tp -61.13 -60.68 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -45.52 -45.28 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -67.05 -41.79 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.1 t60 -69.39 -13.92 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -79.26 -32.05 43.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.26 -21.75 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.456 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.78 -30.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.7 m-70 -76.42 -33.18 58.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.82 107.14 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.93 71.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.18 139.44 31.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -152.43 144.01 16.22 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.662 0.744 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 0.48 5.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.303 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -111.7 43.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.2 178.78 17.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.94 15.61 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.346 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p -55.65 154.4 6.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -75.17 84.09 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.457 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -141.59 149.13 40.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 m -40.97 -52.32 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.01 -167.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -112.43 89.0 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 m -128.73 41.9 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.99 112.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.544 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.4 p -88.44 -56.29 3.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.801 0.334 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? 47.92 44.69 18.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 14.5 mm-40 -96.19 -45.53 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 22.9 m-70 -168.89 159.81 8.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.75 -13.88 35.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 55.1 m-85 -121.63 103.74 9.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -125.46 119.86 29.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.09 130.34 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -92.55 -11.04 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -76.56 -39.91 51.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.5 -43.82 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.96 16.0 3.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.9 mttm -73.33 166.7 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 14' ' ' LYS . 62.7 p -139.65 144.25 37.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 3.2 m-85 -140.69 140.25 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.8 p -62.02 -34.9 77.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 6.3 m80 -115.14 160.78 19.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.59 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 26.1 p -73.61 -49.4 26.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.1 -42.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 30.2 m170 -63.99 -47.01 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -63.04 -58.43 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -48.9 -39.5 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -70.45 -42.6 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.5 t60 -69.74 -14.02 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -78.44 -35.07 47.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.25 -22.81 43.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.84 -30.65 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -77.24 -33.97 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.97 125.0 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.79 90.05 0.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -130.71 110.39 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.469 ' ND2' ' HD2' ' A' ' 40' ' ' PRO . 28.8 t-20 -140.03 138.69 19.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.469 ' HD2' ' ND2' ' A' ' 39' ' ' ASN . 53.8 Cg_endo -69.77 136.05 31.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.7 t -105.93 85.57 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 33.98 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' SER . 53.5 Cg_endo -69.81 169.41 19.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.317 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p 40.04 47.05 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -93.98 -45.46 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.504 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 m -129.32 143.49 50.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -127.3 175.83 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.57 161.68 38.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -84.4 -52.79 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t 48.49 42.14 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.35 111.61 0.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LYS . 66.6 p -37.86 -50.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.355 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' THR . 1.8 mmmm -34.48 151.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -131.46 176.35 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.402 ' ND1' ' HA ' ' A' ' 23' ' ' SER . 70.2 m-70 -65.61 155.94 84.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.712 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.13 36.48 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 73.5 m-85 -110.18 113.96 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -129.38 123.57 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.4 t -59.42 125.04 22.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -90.65 14.06 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mt-10 -108.08 -37.25 6.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -122.7 -36.25 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.32 17.85 7.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 50.3 mttt -77.61 172.29 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -141.93 142.34 33.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.97 135.81 36.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.402 ' HA ' ' ND1' ' A' ' 11' ' ' HIS . 18.2 t -53.05 -51.04 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.451 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 14.3 m80 -103.56 162.96 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 80.3 p -74.62 -48.49 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.86 -36.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 32.7 m80 -68.95 -50.44 49.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -57.65 -58.65 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -48.11 -40.23 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -69.72 -42.99 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.5 t60 -71.27 -14.51 62.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -78.02 -36.0 49.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.4 mt -55.43 -23.42 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -70.74 -29.1 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.5 m-70 -80.81 -38.12 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.44 -54.64 13.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.46 -54.95 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -66.2 162.7 19.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -142.59 142.77 24.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -45.03 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -161.3 125.73 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.49 146.39 7.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 173.01 11.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.3 p -117.87 139.45 51.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -134.41 111.54 10.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -44.59 -44.9 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.802 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -156.44 139.32 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.98 -156.95 30.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -133.32 152.66 51.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -53.87 -59.54 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.66 177.01 21.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' THR . 2.2 t -50.63 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.18 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -136.87 130.15 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -115.0 154.24 29.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -113.82 144.78 32.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.816 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.77 -10.98 29.88 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.334 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 75.1 m-85 -121.59 116.59 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.68 122.2 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -64.0 137.01 57.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.68 -14.78 21.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -72.16 -43.63 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.54 -45.56 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.96 23.69 2.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.2 mttm -80.93 171.97 14.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.6 p -140.71 138.08 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.9 m-85 -135.51 139.74 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -60.03 -51.46 69.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -99.95 154.77 18.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.583 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.9 p -67.68 -46.49 72.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.49 -37.57 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -67.43 -43.22 81.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 tp -65.21 -61.83 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -45.83 -42.22 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -67.79 -42.22 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 15.7 t60 -69.88 -14.44 62.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.47 -30.79 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.41 -19.55 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -27.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -78.67 -36.09 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 -53.54 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.45 39.11 80.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 14.6 tp10 -76.52 -60.33 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.899 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -107.47 79.39 0.78 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 54.4 Cg_endo -69.72 85.34 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 m -67.19 125.36 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.97 145.82 4.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -4.86 14.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.242 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -44.34 116.18 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.5 p -83.47 45.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.483 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 p -122.71 140.89 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -153.59 123.69 6.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.68 47.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m -109.59 130.56 55.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 t -161.81 144.31 11.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.54 112.55 3.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.2 p -102.12 -49.11 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? 71.29 49.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 30.0 mt-10 -81.53 -32.3 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 23' ' ' SER . 24.0 m-70 -167.77 159.77 9.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -10.63 29.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 71.1 m-85 -123.42 102.1 7.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.719 ' HD3' HG22 ' A' ' 21' ' ' THR . 8.5 tptm -120.0 111.75 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' GLY . 17.9 t -62.1 110.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.92 -21.04 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 15.1 mt-10 -62.17 -50.07 73.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.4 -38.64 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.69 11.96 6.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.6 mttt -67.7 164.0 20.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.719 HG22 ' HD3' ' A' ' 14' ' ' LYS . 72.2 p -134.05 144.87 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -142.05 143.04 32.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 82.4 p -76.17 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.0 m80 -138.39 155.72 48.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 52.1 p -68.75 -55.32 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.01 -39.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 24' ' ' HIS . 31.1 m170 -66.78 -50.19 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' SER . 45.9 tp -61.04 -63.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 t -45.48 -43.94 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -68.41 -42.73 78.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 34' ' ' ILE . 16.4 t60 -71.22 -14.13 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -78.06 -34.01 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.32 -20.82 57.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -72.29 -29.38 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.7 m-70 -76.84 -33.0 57.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.5 -175.81 5.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.93 41.99 93.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -155.41 127.34 7.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.936 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -153.68 144.19 15.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -8.44 23.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.9 t -117.27 150.06 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.04 -167.81 1.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 87.0 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -80.54 137.2 36.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 m -51.15 173.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.484 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -77.48 143.0 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -100.37 -46.63 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.07 175.27 43.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -104.48 89.35 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.397 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 t -89.72 142.79 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.11 -177.01 23.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -104.39 113.02 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 111.149 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.51 138.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG2' ' CD2' ' A' ' 11' ' ' HIS . 3.3 pm0 -133.03 15.74 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.431 ' CD2' ' HG2' ' A' ' 10' ' ' GLU . 37.8 m170 -107.1 148.52 37.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.545 0.688 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.74 -10.96 29.87 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.74 2.293 . . . . 0.0 112.369 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 54.4 m-85 -127.91 125.06 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -136.46 126.47 26.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.39 119.21 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -80.8 -14.2 58.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.4 mt-10 -73.64 -40.1 64.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -123.36 -42.51 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 14.16 5.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.8 mttt -69.33 178.11 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -145.83 141.81 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -139.28 140.09 37.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -57.98 -49.2 77.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -105.67 160.24 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.1 t -69.63 -52.43 25.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.4 -42.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -63.61 -49.34 73.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' SER . 31.6 tp -59.87 -58.14 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -52.38 -32.39 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -77.27 -41.93 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.1 t60 -71.54 -14.18 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -78.3 -34.84 48.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.7 mt -58.17 -21.91 49.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -71.12 -31.94 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 72.1 m-70 -74.35 -26.39 60.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.98 47.7 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.27 49.97 0.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.64 177.61 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -129.43 134.3 26.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 1.8 4.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -78.98 87.67 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.66 146.23 14.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.63 56.24 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.307 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -107.12 98.35 8.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 p -97.99 155.26 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.487 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_