data_2ytj_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 2ytj _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.78 0.242 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 24.4 m-85 -147.28 133.09 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 mp -141.94 121.42 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 4.8 t -59.69 159.93 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -112.71 -31.14 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.2 mm-40 -52.19 -41.59 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.15 -44.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.99 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -97.52 173.24 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.92 151.71 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.25 170.09 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -113.12 -44.77 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 mt -92.46 120.45 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -40.55 -41.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -68.41 -52.18 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.26 -34.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -74.13 -48.1 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.3 mt -49.21 -52.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -47.65 -46.74 29.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' LYS . 15.3 t60 -56.72 -55.15 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -37.87 -27.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.3 mmtm -58.16 -48.13 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -58.23 -11.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 42.6 m-70 -99.04 11.98 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.772 0.238 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 17.4 m-85 -118.25 127.54 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.0 mt -144.68 121.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -69.57 78.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.24 -43.64 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' ALA . 34.6 mt-10 -34.64 -56.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -110.25 -48.93 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.6 51.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -110.59 137.38 48.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.14 132.32 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -129.22 173.71 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -122.33 -40.58 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.0 mt -97.09 114.91 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 23.0 tpt180 -39.3 -38.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -67.64 -47.76 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -46.05 -40.37 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.25 -52.85 23.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -43.4 -50.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -61.03 -46.63 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 33' ' ' LYS . 23.9 t60 -52.48 -46.92 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -44.42 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' HIS . 17.9 mmtp -48.51 -51.94 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.4 pt -54.72 -19.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.62 20.27 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.817 0.257 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 25' ' ' ARG . 20.4 m-85 -142.89 124.08 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 81.6 mt -138.11 118.11 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.58 132.57 45.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.39 -21.56 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.522 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -61.17 -40.88 95.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -120.23 -48.1 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.85 35.41 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' O ' ' CG2' ' A' ' 14' ' ' ILE . 36.7 tttm -92.35 166.91 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.74 150.83 38.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 28' ' ' LEU . 78.3 m-85 -144.38 168.07 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.1 m -113.64 -43.62 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.2 mt -102.57 133.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.94 -46.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -62.71 -36.4 82.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -58.95 -34.06 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 22' ' ' PHE . 8.2 tp -89.0 -37.94 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mt -60.61 -32.97 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -80.13 -13.61 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.6 t60 -93.99 -59.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.0 mt-30 -38.1 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.6 ptmt -56.61 -47.7 79.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 33' ' ' LYS . 13.2 pt -41.25 -27.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 97.5 m-70 -84.56 -37.95 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 61.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.766 0.236 . . . . 0.0 112.292 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -130.96 129.06 41.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mm -124.87 131.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' ALA . 45.5 t -79.25 77.21 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.21 -48.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 7.1 mm-40 -34.48 -59.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -108.09 -49.23 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -92.72 164.07 13.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.74 138.6 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -134.8 135.53 41.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -78.11 -39.13 42.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.1 mt -97.55 119.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -46.39 -34.38 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' ILE . 2.8 m -74.43 -46.9 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -46.64 -30.62 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -79.21 -30.07 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 28.3 mm -62.29 -45.44 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -66.64 -28.37 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CE1' HD13 ' A' ' 34' ' ' ILE . 76.3 t60 -63.16 -47.45 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -44.11 -22.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mmtt -50.76 -49.73 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.469 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -62.23 -22.29 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 85.9 m-70 -85.86 -31.73 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.808 0.253 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 17.4 m-85 -130.84 132.62 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.401 HD11 ' C ' ' A' ' 13' ' ' TYR . 4.7 mp -143.71 109.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 22' ' ' PHE . 45.1 t -56.23 112.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.57 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.01 -45.25 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.41 47.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 ttpt -115.25 155.42 27.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.51 149.57 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 15' ' ' CYS . 3.3 m-85 -139.83 158.39 44.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -100.68 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.9 mt -86.85 122.39 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -44.45 -36.53 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' ILE . 3.7 t -72.44 -56.63 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.807 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -38.22 -34.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 22' ' ' PHE . 25.6 tp -73.85 -47.79 35.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' SER . 63.9 mt -57.82 -49.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -28.01 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.442 ' CE1' HD13 ' A' ' 34' ' ' ILE . 7.3 t60 -65.87 -48.84 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -43.59 -22.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 31' ' ' HIS . 46.5 mtpt -51.38 -40.92 60.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.6 pt -56.14 -21.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 27.1 m-70 -84.55 -37.88 20.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.7 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.756 0.232 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' C ' HG13 ' A' ' 14' ' ' ILE . 15.2 m-85 -129.47 143.72 50.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 13' ' ' TYR . 30.4 mt -142.11 131.55 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.17 80.42 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.87 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.21 -57.07 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -106.16 -48.41 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.1 53.03 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.427 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -117.94 145.93 44.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.77 121.4 40.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.7 m-85 -119.72 141.27 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 24' ' ' ILE . 4.1 t -85.98 -43.22 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.435 ' N ' HG22 ' A' ' 23' ' ' THR . 29.5 mm -93.94 124.07 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' SER . 12.8 ptm180 -45.08 -48.78 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 25' ' ' ARG . 6.6 t -58.51 -49.17 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -46.78 -25.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 22' ' ' PHE . 9.0 tp -84.54 -41.26 16.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.2 mt -66.08 -47.46 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -56.94 -26.51 59.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' ' CG1' ' A' ' 34' ' ' ILE . 4.9 t60 -93.86 -34.95 12.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -56.83 -27.41 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -75.33 -12.43 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -70.87 -17.3 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -83.08 -29.11 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.872 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.768 0.237 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 32.3 m-85 -125.17 117.62 24.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mt -125.54 135.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.8 t -78.47 109.56 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.59 -56.05 13.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -107.24 -46.12 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.18 20.73 4.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.03 140.25 40.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 118.96 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -122.28 144.45 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 t -98.46 -37.16 9.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -89.15 108.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ptm180 -38.28 -38.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -68.17 -48.3 65.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -46.78 -33.45 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -78.35 -37.39 44.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.62 -55.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -26.84 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' LYS . 71.6 t60 -70.99 -47.99 55.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -38.82 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mtmt -57.01 -50.16 73.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -63.33 -19.24 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -88.46 -28.46 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.761 0.234 . . . . 0.0 112.338 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 89.0 m-85 -157.78 137.3 12.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 4.5 mp -145.9 113.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 t -46.94 106.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.96 41.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -130.38 -36.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -127.97 -44.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.11 47.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.6 mmtp -103.19 -175.15 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.33 138.13 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' HD13 ' A' ' 28' ' ' LEU . 32.9 m-85 -140.87 154.47 46.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.2 m -85.19 -56.97 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.82 154.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -65.9 -40.1 91.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -67.97 -53.48 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -39.01 -31.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 22' ' ' PHE . 38.2 tp -82.74 -48.95 10.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -47.87 -39.56 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 41.7 tttt -67.01 -41.47 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 16.1 t60 -60.66 -52.53 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -41.22 -24.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 3.3 mmmm -48.43 -53.29 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.8 pt -46.38 -23.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -90.1 -36.11 15.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.798 0.249 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 88.8 m-85 -132.06 141.67 49.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -146.97 121.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.25 127.64 33.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.07 25.39 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 14.2 mp0 -117.91 -32.61 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -128.57 -41.43 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 40.79 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -98.15 145.33 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.81 137.53 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.11 157.92 45.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 24' ' ' ILE . 14.1 t -104.37 -33.55 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.442 HG13 ' CG2' ' A' ' 23' ' ' THR . 28.2 mt -102.61 146.29 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 55.1 ttp85 -66.38 -32.66 74.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -75.95 -51.24 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -41.81 -29.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -83.55 -43.07 16.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -55.46 -39.58 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -65.95 -37.83 87.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -57.92 -48.02 81.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -39.09 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.3 mtpt -56.34 -54.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' C ' HD11 ' A' ' 34' ' ' ILE . 1.7 pp -60.29 -16.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -90.34 12.62 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.894 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.774 0.239 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -127.32 127.81 44.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mp -132.24 128.65 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' CA ' HD11 ' A' ' 28' ' ' LEU . 12.6 t -58.78 111.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.15 28.12 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -117.82 -45.48 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.73 -47.59 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.48 70.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.0 mtpp -128.25 -174.86 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -143.38 148.91 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 69.5 m-85 -150.58 162.56 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.47 -52.23 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -91.36 149.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -64.11 -42.09 97.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.9 p -66.24 -38.51 88.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -53.85 -38.88 65.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD11 ' CA ' ' A' ' 15' ' ' CYS . 15.0 tp -74.33 -46.54 40.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.9 mt -56.92 -39.72 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -65.28 -31.87 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 8.3 t60 -71.14 -46.12 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -47.08 -20.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -54.58 -34.77 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -65.71 -13.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 34' ' ' ILE . 30.5 m-70 -91.36 -34.97 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.805 0.252 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CE2' ' O ' ' A' ' 23' ' ' THR . 60.2 m-85 -157.63 118.4 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.462 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 37.0 mm -133.72 106.7 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 t -41.28 120.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.35 40.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -133.56 -33.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.5 p -131.79 -41.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.29 26.19 1.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 154.28 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.311 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 14' ' ' ILE . . . -115.73 142.29 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -142.71 160.15 40.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 88.2 m -89.67 -51.73 5.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 mt -91.79 151.55 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 21.3 ttm105 -65.41 -46.51 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -61.83 -53.24 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -44.41 -33.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 tp -75.0 -47.02 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -53.97 -41.09 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.64 -21.26 65.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.6 t60 -89.57 -57.96 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -40.14 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.5 mmmt -53.61 -47.07 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.7 pt -45.31 -21.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 52.6 m-70 -89.03 -34.21 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 33' ' ' LYS . 54.2 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.791 0.246 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -141.13 135.89 31.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.4 mt -141.4 129.83 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 19' ' ' GLY . 23.1 t -78.77 82.92 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.56 -40.53 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.99 -62.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -101.43 -48.27 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.46 46.23 0.33 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 34.2 mttt -104.77 167.39 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 125.76 42.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 28' ' ' LEU . 16.3 m-85 -119.13 170.44 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -106.64 -53.81 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 mt -94.98 119.48 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ILE . 21.2 ttt85 -34.51 -46.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -62.17 -50.46 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . 53.8 t-20 -48.04 -21.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 22' ' ' PHE . 21.5 tp -88.47 -38.43 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.96 -49.11 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.53 -16.64 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 27.0 t60 -93.95 -62.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -40.78 -26.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 pttp -52.58 -44.77 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 35' ' ' HIS . 18.2 pt -46.95 -31.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.412 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.4 m-70 -79.14 -32.97 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.768 0.237 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.455 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.1 m-85 -151.67 114.96 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.8 mt -140.24 142.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 2.1 t -79.58 159.61 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -107.84 -38.6 5.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.66 -56.99 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -109.43 -42.92 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.09 33.62 1.96 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -77.98 136.62 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.33 126.98 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 28' ' ' LEU . 70.3 m-85 -127.56 167.73 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.8 m -110.37 -41.08 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.447 HD11 ' ND2' ' A' ' 27' ' ' ASN . 21.4 mt -100.07 118.88 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 11.7 ttp-105 -42.03 -41.19 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 m -65.72 -48.01 73.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 24' ' ' ILE . 1.7 m-80 -50.92 -22.63 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD11 ' CD2' ' A' ' 22' ' ' PHE . 40.4 tp -90.35 -24.08 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mt -60.36 -40.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -76.36 -35.5 58.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -52.2 -38.63 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -52.03 -16.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -53.18 -43.18 66.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -65.97 -4.47 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -109.9 21.99 16.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.843 0.268 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 72.6 m-85 -148.5 127.31 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 13' ' ' TYR . 21.3 mt -141.25 127.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -53.49 130.68 36.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.32 38.95 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.3 mm-40 -134.57 -36.5 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.79 -46.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 36.44 0.77 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -99.55 138.16 37.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.19 151.19 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' CD1' HD11 ' A' ' 28' ' ' LEU . 37.8 m-85 -140.88 170.44 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 m -106.17 -45.67 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.4 mt -106.42 111.79 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 ptt180 -37.39 -39.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 3.2 m -60.14 -54.61 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -46.0 -32.76 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 22' ' ' PHE . 10.0 tp -77.43 -33.58 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -47.33 -43.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.8 tttp -65.77 -47.24 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CE1' HD12 ' A' ' 34' ' ' ILE . 83.8 t60 -44.73 -55.47 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -39.37 -30.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 23.8 mmtp -46.07 -50.35 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.527 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.89 -18.6 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 30.0 m-70 -94.31 21.46 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.9 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.786 0.244 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 21.3 m-85 -99.83 109.48 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 98.1 mt -130.08 117.86 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -47.93 133.33 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.25 27.48 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp0 -122.56 -41.12 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -117.71 -49.63 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.88 31.41 0.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -94.62 162.12 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -108.68 164.25 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 63.0 m-85 -155.41 150.27 26.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.7 m -96.73 -36.5 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 mm -113.24 136.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.513 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.01 -47.71 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -57.04 -52.3 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -45.44 -35.85 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.8 tp -84.07 -45.7 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 mt -56.66 -29.22 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -83.27 -26.08 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 34' ' ' ILE . 35.5 t60 -72.94 -34.44 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.43 -13.96 1.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -57.87 -53.23 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.506 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -57.2 -14.72 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 60.3 m-70 -92.62 -19.08 22.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.88 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.842 0.268 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 19.8 m-85 -122.16 126.59 48.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.1 mm -137.26 130.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.5 t -81.25 81.75 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.64 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -39.72 -55.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.01 -46.32 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.13 37.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -83.75 -178.62 7.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.31 138.99 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -144.52 162.33 36.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.0 m -97.14 -50.69 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.461 ' HB ' ' ND2' ' A' ' 27' ' ' ASN . 9.8 mt -87.26 147.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 23.1 ttt180 -62.5 -47.66 82.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -61.74 -40.93 96.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' ND2' ' HB ' ' A' ' 24' ' ' ILE . 1.7 m-80 -46.09 -47.67 17.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ILE . 16.3 tp -55.41 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.9 mp -32.93 -54.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -44.96 -46.06 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 69.6 t60 -63.2 -41.02 99.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -50.17 -18.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -54.39 -48.28 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -65.8 -13.7 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -98.17 -27.44 14.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.786 0.244 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 20.8 m-85 -99.8 135.92 40.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 78.8 mt -144.75 122.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.13 104.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -66.1 -41.16 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 10.4 mt-10 -35.42 -55.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.4 -49.71 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.59 45.74 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 9.7 tptp -100.82 159.51 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.18 146.81 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 87.8 m-85 -149.56 159.26 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.3 m -95.84 -54.38 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.6 mt -90.09 124.66 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -41.43 -35.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -68.38 -53.42 24.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -43.15 -32.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HG3' ' A' ' 32' ' ' GLN . 9.6 tp -71.95 -49.91 33.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mm -44.42 -53.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 7.1 tptm -47.88 -60.97 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -52.46 -49.12 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 16.2 mt-30 -53.02 -15.93 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 5.4 pttp -68.81 -9.55 51.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.4 pt -79.55 -23.78 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' N ' HG13 ' A' ' 34' ' ' ILE . 89.7 m-70 -87.49 16.55 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.818 0.257 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 59.5 m-85 -90.0 136.18 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mm -141.0 125.08 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.49 75.78 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.11 -44.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 18.3 mm-40 -36.03 -58.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.16 -46.11 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.47 39.11 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.437 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -99.42 165.84 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 138.53 54.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -133.16 151.95 51.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.7 m -94.26 -38.98 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -109.38 130.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -47.89 -39.38 18.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -63.75 -44.72 92.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -56.93 -30.69 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -80.51 -27.36 37.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.0 mt -69.69 -46.45 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -59.45 -40.38 86.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 45.5 t60 -53.31 -48.15 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -37.14 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.6 mmmt -56.95 -50.51 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -57.65 -19.71 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -85.85 -14.36 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.841 0.267 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 61.8 m-85 -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 142.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -82.54 103.73 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.79 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 70.8 mm-40 -48.77 -66.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.34 -48.93 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.93 61.8 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -118.67 132.78 56.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.48 138.35 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' HD11 ' A' ' 28' ' ' LEU . 48.6 m-85 -130.85 157.07 43.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 p -82.89 -46.94 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.34 140.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ttm180 -56.47 -49.99 73.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -57.45 -56.15 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.38 -36.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -68.96 -56.2 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.473 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 mm -34.15 -34.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 ttpm? -69.08 -48.69 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' LEU . 13.2 t60 -51.86 -38.1 54.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 2.0 mp0 -46.06 -20.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 31' ' ' HIS . 67.6 mttt -56.2 -37.49 69.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 4.7 pt -62.16 -16.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.8 m-70 -100.98 -10.58 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.832 0.263 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -133.97 137.02 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.76 117.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.86 118.71 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.42 35.9 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -127.14 -45.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 p -118.14 -46.63 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.18 -13.03 3.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 7.8 ttmm -45.15 159.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.35 126.89 25.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -123.47 162.16 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -45.73 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 25' ' ' ARG . 18.8 mt -89.59 148.54 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' N ' HG22 ' A' ' 24' ' ' ILE . 44.7 ttp85 -61.9 -44.19 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -66.81 -40.93 88.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -48.06 -37.15 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.5 -41.03 33.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.5 mm -49.97 -46.41 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -45.1 94.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 81.0 t60 -50.19 -46.58 54.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -42.51 -23.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' HIS . 51.8 mmtt -52.73 -53.7 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.3 pt -61.02 -17.88 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -91.97 -32.82 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -132.35 150.07 52.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -64.91 123.42 19.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.01 -93.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -156.23 143.97 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -59.09 166.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.36 -54.54 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 m -76.26 91.51 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.02 97.86 2.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' LYS . 23.8 tt0 -143.95 154.4 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' GLU . 28.4 mmtp -36.46 149.56 0.15 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.78 -11.05 30.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 24.4 m-85 -147.28 133.09 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 mp -141.94 121.42 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 4.8 t -59.69 159.93 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -112.71 -31.14 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.2 mm-40 -52.19 -41.59 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.15 -44.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.99 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -97.52 173.24 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.92 151.71 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.25 170.09 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -113.12 -44.77 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 mt -92.46 120.45 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -40.55 -41.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -68.41 -52.18 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.26 -34.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -74.13 -48.1 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.3 mt -49.21 -52.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -47.65 -46.74 29.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' LYS . 15.3 t60 -56.72 -55.15 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -37.87 -27.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.3 mmtm -58.16 -48.13 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -58.23 -11.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 42.6 m-70 -99.04 11.98 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 m -121.54 81.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -53.16 156.47 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 39' ' ' LYS . 9.5 tp-100 -134.1 83.14 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -34.61 143.72 0.21 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.5 14.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -99.39 93.5 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.15 -158.59 23.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 138.15 37.0 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -45.37 -61.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -126.43 123.51 38.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.457 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -107.66 151.14 26.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.814 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -133.57 148.41 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.96 -176.51 20.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -165.31 146.31 7.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -139.9 143.22 36.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.86 165.24 33.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.0 m -156.04 135.22 12.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 171.47 15.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -112.51 100.56 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -124.48 79.51 61.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -0.59 7.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 17.4 m-85 -118.25 127.54 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.0 mt -144.68 121.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -69.57 78.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.24 -43.64 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' ALA . 34.6 mt-10 -34.64 -56.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -110.25 -48.93 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.6 51.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -110.59 137.38 48.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.14 132.32 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -129.22 173.71 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -122.33 -40.58 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.0 mt -97.09 114.91 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 23.0 tpt180 -39.3 -38.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -67.64 -47.76 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -46.05 -40.37 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.25 -52.85 23.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -43.4 -50.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -61.03 -46.63 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 33' ' ' LYS . 23.9 t60 -52.48 -46.92 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -44.42 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' HIS . 17.9 mmtp -48.51 -51.94 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.4 pt -54.72 -19.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.62 20.27 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -121.29 44.81 2.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -107.68 147.21 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -45.92 154.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 24.7 ttmt 53.45 54.81 12.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.567 0.699 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.76 162.8 40.67 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.377 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -65.92 174.73 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.81 151.05 19.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 108.04 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.38 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.9 m -81.35 157.7 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 m -139.39 152.6 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.204 -0.776 . . . . 0.0 112.502 -179.957 . . . . . . . . 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 -0.311 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -107.86 89.64 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -156.58 131.96 9.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.52 166.82 12.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -85.09 116.53 23.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -145.58 127.36 15.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -76.99 -126.07 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 34.4 p 36.11 41.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.72 -41.76 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.01 87.83 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.61 149.14 56.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -15.44 36.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 25' ' ' ARG . 20.4 m-85 -142.89 124.08 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 81.6 mt -138.11 118.11 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.58 132.57 45.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.39 -21.56 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.522 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -61.17 -40.88 95.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -120.23 -48.1 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.85 35.41 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' O ' ' CG2' ' A' ' 14' ' ' ILE . 36.7 tttm -92.35 166.91 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.74 150.83 38.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 28' ' ' LEU . 78.3 m-85 -144.38 168.07 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.1 m -113.64 -43.62 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.2 mt -102.57 133.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.94 -46.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -62.71 -36.4 82.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -58.95 -34.06 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 22' ' ' PHE . 8.2 tp -89.0 -37.94 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mt -60.61 -32.97 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -80.13 -13.61 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.6 t60 -93.99 -59.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.0 mt-30 -38.1 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.6 ptmt -56.61 -47.7 79.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 33' ' ' LYS . 13.2 pt -41.25 -27.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 97.5 m-70 -84.56 -37.95 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 61.9 m -50.24 148.16 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt 59.63 47.01 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -96.51 -55.47 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.961 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 44.9 tttt -67.42 143.09 96.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.578 0.704 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.4 Cg_endo -69.78 106.34 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -110.6 174.68 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.43 -158.85 33.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.38 60.48 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -127.19 177.6 6.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m -139.08 165.02 28.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.46 -179.945 . . . . . . . . 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 1.451 -0.345 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -92.91 122.33 35.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -104.91 123.9 48.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.11 -72.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -43.32 -44.11 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.395 . . . . 0.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -113.15 121.43 44.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.25 114.04 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -52.74 -19.18 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.88 110.02 0.74 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -151.11 114.68 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 49.41 52.19 12.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 2.74 3.26 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.735 2.29 . . . . 0.0 112.292 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -130.96 129.06 41.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mm -124.87 131.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' ALA . 45.5 t -79.25 77.21 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.21 -48.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 7.1 mm-40 -34.48 -59.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -108.09 -49.23 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -92.72 164.07 13.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.74 138.6 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -134.8 135.53 41.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -78.11 -39.13 42.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.1 mt -97.55 119.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -46.39 -34.38 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' ILE . 2.8 m -74.43 -46.9 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -46.64 -30.62 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -79.21 -30.07 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 28.3 mm -62.29 -45.44 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -66.64 -28.37 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CE1' HD13 ' A' ' 34' ' ' ILE . 76.3 t60 -63.16 -47.45 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -44.11 -22.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mmtt -50.76 -49.73 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.469 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -62.23 -22.29 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 85.9 m-70 -85.86 -31.73 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.8 p -94.15 155.3 17.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -115.55 175.49 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -93.89 -47.86 6.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.89 144.0 67.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 176.41 6.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.383 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.0 t -99.29 -44.63 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.24 -158.96 33.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.444 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.9 22.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -60.86 169.85 1.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.5 t -98.53 -50.46 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.493 179.977 . . . . . . . . 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 1.45 -0.378 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -130.81 172.86 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 p -113.94 166.65 11.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.15 163.78 9.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -89.99 121.99 32.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -88.46 45.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.55 119.22 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 t -50.34 139.98 14.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 111.179 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.57 63.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -76.17 157.0 33.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -72.64 143.56 85.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.945 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.72 -5.93 17.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.374 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 17.4 m-85 -130.84 132.62 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.401 HD11 ' C ' ' A' ' 13' ' ' TYR . 4.7 mp -143.71 109.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 22' ' ' PHE . 45.1 t -56.23 112.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.57 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.01 -45.25 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.41 47.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 ttpt -115.25 155.42 27.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.51 149.57 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 15' ' ' CYS . 3.3 m-85 -139.83 158.39 44.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -100.68 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.9 mt -86.85 122.39 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -44.45 -36.53 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' ILE . 3.7 t -72.44 -56.63 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.807 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -38.22 -34.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 22' ' ' PHE . 25.6 tp -73.85 -47.79 35.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' SER . 63.9 mt -57.82 -49.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -28.01 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.442 ' CE1' HD13 ' A' ' 34' ' ' ILE . 7.3 t60 -65.87 -48.84 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -43.59 -22.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 31' ' ' HIS . 46.5 mtpt -51.38 -40.92 60.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.6 pt -56.14 -21.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 27.1 m-70 -84.55 -37.88 20.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.7 p -56.4 -31.79 64.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -107.01 112.97 26.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -50.96 139.69 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 62.45 20.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.521 0.677 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.63 28.48 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -174.67 111.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.15 85.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 135.64 30.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -72.7 173.67 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -50.19 -46.42 54.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.516 -179.997 . . . . . . . . 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 1.45 -0.367 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 3' ' ' SER . 22.6 t 48.62 41.98 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.352 . . . . 0.0 110.896 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.5 m -36.17 -48.25 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.83 99.41 1.25 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 p -129.56 91.81 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -105.38 89.01 2.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.81 132.9 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.0 m -54.15 107.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 111.182 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.35 138.16 6.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 17.1 tp10 -104.82 155.11 19.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -126.49 76.31 73.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.83 19.54 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' C ' HG13 ' A' ' 14' ' ' ILE . 15.2 m-85 -129.47 143.72 50.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 13' ' ' TYR . 30.4 mt -142.11 131.55 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.17 80.42 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.87 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.21 -57.07 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -106.16 -48.41 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.1 53.03 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.427 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -117.94 145.93 44.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.77 121.4 40.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.7 m-85 -119.72 141.27 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 24' ' ' ILE . 4.1 t -85.98 -43.22 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.435 ' N ' HG22 ' A' ' 23' ' ' THR . 29.5 mm -93.94 124.07 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' SER . 12.8 ptm180 -45.08 -48.78 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 25' ' ' ARG . 6.6 t -58.51 -49.17 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -46.78 -25.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 22' ' ' PHE . 9.0 tp -84.54 -41.26 16.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.2 mt -66.08 -47.46 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -56.94 -26.51 59.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' ' CG1' ' A' ' 34' ' ' ILE . 4.9 t60 -93.86 -34.95 12.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -56.83 -27.41 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -75.33 -12.43 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -70.87 -17.3 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -83.08 -29.11 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.5 t -38.67 150.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -70.15 105.15 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 39' ' ' LYS . 30.8 tt0 -139.26 119.52 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 23.8 pttt 34.42 52.65 1.31 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.708 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.75 -177.48 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -111.75 168.57 9.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.76 -95.0 1.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.29 27.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.6 p -157.95 166.25 33.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.6 t -51.47 105.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.443 179.964 . . . . . . . . 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 -0.309 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -172.25 132.09 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m 38.95 43.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.823 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.66 -106.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -86.97 118.07 26.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -76.43 -57.78 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.94 154.89 19.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -123.13 -39.82 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 111.154 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.63 -178.53 39.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -128.3 46.84 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -79.83 145.0 61.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.79 -23.67 30.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 32.3 m-85 -125.17 117.62 24.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mt -125.54 135.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.8 t -78.47 109.56 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.59 -56.05 13.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -107.24 -46.12 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.18 20.73 4.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.03 140.25 40.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 118.96 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -122.28 144.45 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 t -98.46 -37.16 9.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -89.15 108.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ptm180 -38.28 -38.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -68.17 -48.3 65.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -46.78 -33.45 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -78.35 -37.39 44.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.62 -55.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -26.84 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' LYS . 71.6 t60 -70.99 -47.99 55.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -38.82 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mtmt -57.01 -50.16 73.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -63.33 -19.24 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -88.46 -28.46 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -86.32 42.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' LYS . 40.8 mttm -156.23 106.09 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' LYS . 35.9 mt-30 -36.48 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -73.11 151.63 90.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -45.26 1.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.0 p -119.2 133.47 55.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.92 146.45 18.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 129.92 18.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' SER . 33.2 p -75.33 -54.22 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' SER . 52.7 p -38.14 125.33 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.477 -179.966 . . . . . . . . 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 -0.338 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -137.28 175.36 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -169.24 139.49 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.2 70.23 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 p -129.76 155.46 45.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.898 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -59.29 -45.0 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.31 142.72 4.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.4 p -116.39 111.78 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.83 -175.98 22.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.47 103.52 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.89 148.94 39.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.78 -4.3 13.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 89.0 m-85 -157.78 137.3 12.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 4.5 mp -145.9 113.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 t -46.94 106.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.96 41.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -130.38 -36.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -127.97 -44.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.11 47.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.6 mmtp -103.19 -175.15 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.33 138.13 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' HD13 ' A' ' 28' ' ' LEU . 32.9 m-85 -140.87 154.47 46.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.2 m -85.19 -56.97 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.82 154.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -65.9 -40.1 91.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -67.97 -53.48 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -39.01 -31.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 22' ' ' PHE . 38.2 tp -82.74 -48.95 10.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -47.87 -39.56 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 41.7 tttt -67.01 -41.47 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 16.1 t60 -60.66 -52.53 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -41.22 -24.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 3.3 mmmm -48.43 -53.29 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.8 pt -46.38 -23.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -90.1 -36.11 15.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p -88.26 41.63 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 144.42 50.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -84.9 120.95 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.66 148.39 40.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 102.34 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 m -54.15 135.06 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.76 143.85 3.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.07 9.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.7 t -131.86 44.74 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -68.72 -59.0 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.482 -179.98 . . . . . . . . 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 -0.34 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -124.94 96.41 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -86.84 164.78 16.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.94 -43.24 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -162.3 131.73 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -122.06 140.95 51.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.96 66.07 0.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.2 p -74.61 -45.02 47.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.35 144.21 7.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.69 140.92 35.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -130.72 152.74 81.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.88 29.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 88.8 m-85 -132.06 141.67 49.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -146.97 121.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.25 127.64 33.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.07 25.39 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 14.2 mp0 -117.91 -32.61 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -128.57 -41.43 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 40.79 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -98.15 145.33 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.81 137.53 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.11 157.92 45.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 24' ' ' ILE . 14.1 t -104.37 -33.55 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.442 HG13 ' CG2' ' A' ' 23' ' ' THR . 28.2 mt -102.61 146.29 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 55.1 ttp85 -66.38 -32.66 74.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -75.95 -51.24 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -41.81 -29.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -83.55 -43.07 16.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -55.46 -39.58 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -65.95 -37.83 87.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -57.92 -48.02 81.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -39.09 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.3 mtpt -56.34 -54.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.42 ' C ' HD11 ' A' ' 34' ' ' ILE . 1.7 pp -60.29 -16.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -90.34 12.62 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 m -111.45 -45.26 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -93.05 114.67 27.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -115.97 40.0 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.47 137.2 19.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 97.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.227 . . . . 0.0 112.4 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 m -91.21 -46.91 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.55 -74.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 114.98 3.87 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.9 p -94.57 -43.24 8.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.3 p -108.68 -48.17 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.076 -0.847 . . . . 0.0 112.488 179.997 . . . . . . . . 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 -0.337 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -102.87 95.46 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -119.92 -60.6 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.43 171.18 39.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -133.11 -43.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -103.69 97.28 7.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.98 -65.91 0.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.8 p -107.99 111.87 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.02 -142.67 3.5 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 10.2 pt-20 -111.04 38.6 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 9.0 mptt -114.39 61.71 1.16 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.76 2.35 3.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -127.32 127.81 44.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mp -132.24 128.65 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' CA ' HD11 ' A' ' 28' ' ' LEU . 12.6 t -58.78 111.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.15 28.12 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -117.82 -45.48 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.73 -47.59 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.48 70.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.0 mtpp -128.25 -174.86 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -143.38 148.91 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 69.5 m-85 -150.58 162.56 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.47 -52.23 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -91.36 149.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -64.11 -42.09 97.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.9 p -66.24 -38.51 88.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -53.85 -38.88 65.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD11 ' CA ' ' A' ' 15' ' ' CYS . 15.0 tp -74.33 -46.54 40.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.9 mt -56.92 -39.72 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -65.28 -31.87 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 8.3 t60 -71.14 -46.12 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -47.08 -20.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -54.58 -34.77 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -65.71 -13.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 34' ' ' ILE . 30.5 m-70 -91.36 -34.97 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -40.92 138.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -119.19 133.21 55.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -142.85 169.54 17.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.54 139.08 49.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 92.22 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 p -126.6 -37.56 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.84 -158.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.75 1.62 4.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' PRO . 38.4 t -34.78 122.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 t 66.18 38.26 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.464 -179.98 . . . . . . . . 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 1.45 -0.37 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -146.2 135.3 22.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -152.49 169.75 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.813 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.0 39.76 3.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -115.99 153.74 31.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -60.54 94.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.82 71.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -158.25 120.31 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.122 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.82 -55.8 0.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 63.32 42.59 6.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' CD ' ' HD2' ' A' ' 12' ' ' PRO . 34.9 tptt -62.74 136.06 96.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD2' ' CD ' ' A' ' 11' ' ' LYS . 53.4 Cg_endo -69.78 -3.37 11.89 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CE2' ' O ' ' A' ' 23' ' ' THR . 60.2 m-85 -157.63 118.4 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.462 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 37.0 mm -133.72 106.7 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 t -41.28 120.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.35 40.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -133.56 -33.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.5 p -131.79 -41.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.29 26.19 1.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 154.28 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.311 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 14' ' ' ILE . . . -115.73 142.29 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -142.71 160.15 40.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 88.2 m -89.67 -51.73 5.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 mt -91.79 151.55 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 21.3 ttm105 -65.41 -46.51 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -61.83 -53.24 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -44.41 -33.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 tp -75.0 -47.02 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -53.97 -41.09 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.64 -21.26 65.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.6 t60 -89.57 -57.96 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -40.14 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.5 mmmt -53.61 -47.07 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.7 pt -45.31 -21.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 52.6 m-70 -89.03 -34.21 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' LYS . 54.2 p -75.99 -37.1 58.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' THR . 44.0 mmtt -34.62 -55.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -85.0 74.77 10.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 28.3 tttp -137.97 139.6 26.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.2 Cg_endo -69.72 157.4 60.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.733 2.289 . . . . 0.0 112.361 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 m -96.36 121.72 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.787 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.85 169.83 17.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.1 Cg_endo -69.83 -5.46 16.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 0.0 112.315 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' PRO . 7.8 t -36.81 128.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.8 m -120.93 42.32 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.46 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' GLY . 57.2 p -37.92 -43.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m 40.06 42.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.16 -140.86 31.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -120.5 100.8 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.939 0.4 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -39.78 156.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.32 68.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.2 m -115.91 107.2 14.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.83 179.54 51.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -140.54 123.68 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.963 0.411 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 147.12 55.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.28 18.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.316 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -141.13 135.89 31.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.4 mt -141.4 129.83 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 19' ' ' GLY . 23.1 t -78.77 82.92 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.56 -40.53 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.99 -62.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -101.43 -48.27 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.46 46.23 0.33 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 34.2 mttt -104.77 167.39 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 125.76 42.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 28' ' ' LEU . 16.3 m-85 -119.13 170.44 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -106.64 -53.81 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 mt -94.98 119.48 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ILE . 21.2 ttt85 -34.51 -46.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -62.17 -50.46 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . 53.8 t-20 -48.04 -21.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 22' ' ' PHE . 21.5 tp -88.47 -38.43 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.96 -49.11 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.53 -16.64 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 27.0 t60 -93.95 -62.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -40.78 -26.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 pttp -52.58 -44.77 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 35' ' ' HIS . 18.2 pt -46.95 -31.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.4 m-70 -79.14 -32.97 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 m -71.74 -30.63 65.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -84.54 43.36 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -106.97 -43.91 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -89.15 140.85 28.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.513 0.673 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -51.04 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -134.18 50.68 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.6 179.9 23.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -176.61 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.339 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -70.87 -46.95 61.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 p -166.76 155.0 10.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.501 -179.992 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -151.48 113.48 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.82 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 t -172.57 130.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.36 139.32 5.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -149.05 109.85 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 p -60.05 -47.58 85.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -174.86 -105.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLY . 82.3 p -37.1 140.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.155 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.77 -135.03 1.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -63.04 156.7 24.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -129.34 152.05 78.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.682 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.73 -0.72 7.3 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.322 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.455 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.1 m-85 -151.67 114.96 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.8 mt -140.24 142.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 2.1 t -79.58 159.61 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -107.84 -38.6 5.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.66 -56.99 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -109.43 -42.92 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.09 33.62 1.96 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -77.98 136.62 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.33 126.98 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 28' ' ' LEU . 70.3 m-85 -127.56 167.73 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.8 m -110.37 -41.08 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.447 HD11 ' ND2' ' A' ' 27' ' ' ASN . 21.4 mt -100.07 118.88 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 11.7 ttp-105 -42.03 -41.19 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 m -65.72 -48.01 73.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 24' ' ' ILE . 1.7 m-80 -50.92 -22.63 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD11 ' CD2' ' A' ' 22' ' ' PHE . 40.4 tp -90.35 -24.08 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mt -60.36 -40.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -76.36 -35.5 58.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -52.2 -38.63 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -52.03 -16.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -53.18 -43.18 66.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -65.97 -4.47 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -109.9 21.99 16.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -161.51 137.2 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -122.16 124.32 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -38.14 150.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -144.64 160.6 47.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 2.8 3.18 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.398 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 t -72.39 81.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.15 146.18 7.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.273 . . . . 0.0 112.378 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -98.13 179.35 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.4 p -137.81 126.67 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.452 179.97 . . . . . . . . 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 1.452 -0.28 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -56.48 144.22 32.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -96.17 -49.01 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.35 -155.58 21.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -71.82 139.9 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -83.03 -49.19 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.2 135.34 2.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -61.66 -55.04 34.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.177 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.35 173.7 19.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -125.61 40.6 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.41 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 38.21 54.95 4.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.925 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.75 -0.21 6.58 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.359 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 72.6 m-85 -148.5 127.31 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 13' ' ' TYR . 21.3 mt -141.25 127.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -53.49 130.68 36.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.32 38.95 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.3 mm-40 -134.57 -36.5 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.79 -46.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 36.44 0.77 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -99.55 138.16 37.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.19 151.19 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' CD1' HD11 ' A' ' 28' ' ' LEU . 37.8 m-85 -140.88 170.44 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 m -106.17 -45.67 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.4 mt -106.42 111.79 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 ptt180 -37.39 -39.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 3.2 m -60.14 -54.61 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -46.0 -32.76 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 22' ' ' PHE . 10.0 tp -77.43 -33.58 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -47.33 -43.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.8 tttp -65.77 -47.24 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CE1' HD12 ' A' ' 34' ' ' ILE . 83.8 t60 -44.73 -55.47 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -39.37 -30.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 23.8 mmtp -46.07 -50.35 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.527 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.89 -18.6 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 30.0 m-70 -94.31 21.46 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p -83.94 -35.78 23.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -84.98 94.68 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.19 102.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' NZ ' ' HD2' ' A' ' 40' ' ' PRO . 12.2 tptp -155.12 130.31 5.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' NZ ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.76 92.67 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.287 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.2 m -92.68 -48.96 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.05 67.89 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 104.68 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -163.16 115.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -100.06 147.08 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.471 -179.978 . . . . . . . . 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 -0.351 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -128.75 83.12 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -172.35 172.5 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 156.29 22.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p -90.73 3.46 54.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.912 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -167.73 117.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.32 60.99 4.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -112.33 -54.37 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.03 169.22 30.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -135.77 165.08 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -74.43 133.85 77.04 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.72 -20.3 35.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 21.3 m-85 -99.83 109.48 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 98.1 mt -130.08 117.86 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -47.93 133.33 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.25 27.48 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp0 -122.56 -41.12 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -117.71 -49.63 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.88 31.41 0.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -94.62 162.12 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -108.68 164.25 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 63.0 m-85 -155.41 150.27 26.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.7 m -96.73 -36.5 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 mm -113.24 136.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.513 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.01 -47.71 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -57.04 -52.3 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -45.44 -35.85 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.8 tp -84.07 -45.7 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 mt -56.66 -29.22 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -83.27 -26.08 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 34' ' ' ILE . 35.5 t60 -72.94 -34.44 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.43 -13.96 1.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -57.87 -53.23 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.506 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -57.2 -14.72 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 60.3 m-70 -92.62 -19.08 22.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -120.18 148.32 43.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mttp 60.57 41.01 16.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -121.5 -14.87 8.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -89.67 138.52 28.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.385 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 m 42.32 41.91 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.67 -83.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.41 25.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.3 t -51.1 -57.74 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.4 p -130.75 74.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.498 -179.961 . . . . . . . . 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 -0.35 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -83.56 42.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -50.37 117.48 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.79 -173.05 28.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 15.3 t -157.27 161.95 39.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -55.25 145.68 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.93 146.38 16.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -146.06 140.67 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.17 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.23 -167.74 23.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -122.79 121.57 36.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -110.82 137.55 20.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -14.51 36.29 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 19.8 m-85 -122.16 126.59 48.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.1 mm -137.26 130.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.5 t -81.25 81.75 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.64 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -39.72 -55.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.01 -46.32 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.13 37.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -83.75 -178.62 7.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.31 138.99 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -144.52 162.33 36.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.0 m -97.14 -50.69 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.461 ' HB ' ' ND2' ' A' ' 27' ' ' ASN . 9.8 mt -87.26 147.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 23.1 ttt180 -62.5 -47.66 82.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -61.74 -40.93 96.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' ND2' ' HB ' ' A' ' 24' ' ' ILE . 1.7 m-80 -46.09 -47.67 17.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ILE . 16.3 tp -55.41 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.9 mp -32.93 -54.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -44.96 -46.06 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 69.6 t60 -63.2 -41.02 99.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -50.17 -18.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -54.39 -48.28 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -65.8 -13.7 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -98.17 -27.44 14.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m -92.24 101.78 14.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -155.26 142.75 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -136.68 166.03 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -69.57 137.35 88.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.516 0.674 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -173.37 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 m -55.48 -43.84 75.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.03 -86.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.446 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.71 40.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 p -116.44 140.36 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -130.98 121.69 25.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.493 -179.953 . . . . . . . . 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 -0.343 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -110.85 111.77 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -144.93 146.94 32.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.95 96.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 m -125.25 132.91 52.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.6 t -123.51 88.72 2.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.54 63.54 0.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -110.95 112.03 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 111.159 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.64 119.04 1.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' CG2' ' A' ' 23' ' ' THR . 36.3 mt-10 -88.33 45.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -131.18 74.6 79.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.895 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.81 -20.2 34.9 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.669 2.246 . . . . 0.0 112.31 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 20.8 m-85 -99.8 135.92 40.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 78.8 mt -144.75 122.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.13 104.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -66.1 -41.16 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 10.4 mt-10 -35.42 -55.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.4 -49.71 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.59 45.74 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 9.7 tptp -100.82 159.51 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.18 146.81 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 87.8 m-85 -149.56 159.26 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 10' ' ' GLU . 25.3 m -95.84 -54.38 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.6 mt -90.09 124.66 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -41.43 -35.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -68.38 -53.42 24.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -43.15 -32.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HG3' ' A' ' 32' ' ' GLN . 9.6 tp -71.95 -49.91 33.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mm -44.42 -53.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 7.1 tptm -47.88 -60.97 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -52.46 -49.12 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 16.2 mt-30 -53.02 -15.93 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 5.4 pttp -68.81 -9.55 51.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.4 pt -79.55 -23.78 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' N ' HG13 ' A' ' 34' ' ' ILE . 89.7 m-70 -87.49 16.55 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.6 p -76.65 -27.19 55.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -86.63 172.14 10.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -157.15 170.48 22.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 14.2 tptm -76.75 138.99 66.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.469 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.78 165.5 30.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -64.05 -66.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.46 146.02 12.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.92 17.36 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 m -42.1 159.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 p -164.13 133.81 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.468 -179.992 . . . . . . . . 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 -0.354 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 p -148.24 107.34 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -112.32 169.57 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.46 -135.19 2.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -173.12 134.8 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.9 p -79.46 147.82 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.41 -75.0 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 53.35 52.51 13.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.145 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.61 133.05 13.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.44 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -111.11 40.81 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -146.38 143.97 20.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.555 0.693 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.76 -32.24 18.97 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 59.5 m-85 -90.0 136.18 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mm -141.0 125.08 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.49 75.78 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.11 -44.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 18.3 mm-40 -36.03 -58.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.16 -46.11 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.47 39.11 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.437 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -99.42 165.84 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 138.53 54.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -133.16 151.95 51.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.7 m -94.26 -38.98 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -109.38 130.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -47.89 -39.38 18.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -63.75 -44.72 92.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -56.93 -30.69 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -80.51 -27.36 37.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.0 mt -69.69 -46.45 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -59.45 -40.38 86.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 45.5 t60 -53.31 -48.15 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -37.14 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.6 mmmt -56.95 -50.51 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -57.65 -19.71 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -85.85 -14.36 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -105.42 -5.17 20.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -80.63 -25.58 38.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -46.21 -25.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -44.53 143.6 2.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.636 0.731 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -168.93 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 49.0 m 59.28 42.45 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 37.62 -158.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.539 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 86.14 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.305 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -78.68 47.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.2 p -96.85 174.11 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.512 -179.963 . . . . . . . . 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 1.451 -0.334 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -136.01 106.4 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -107.93 86.19 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.55 40.29 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -110.58 85.75 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 0.0 110.865 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m -111.97 143.35 43.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.18 46.35 1.46 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -137.33 134.93 36.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.08 60.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.538 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.24 135.82 55.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -120.2 155.5 55.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -14.63 36.4 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 61.8 m-85 -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 142.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -82.54 103.73 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.79 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 70.8 mm-40 -48.77 -66.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.34 -48.93 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.93 61.8 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -118.67 132.78 56.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.48 138.35 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' HD11 ' A' ' 28' ' ' LEU . 48.6 m-85 -130.85 157.07 43.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 p -82.89 -46.94 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.34 140.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ttm180 -56.47 -49.99 73.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -57.45 -56.15 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.38 -36.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -68.96 -56.2 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.473 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 mm -34.15 -34.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 ttpm? -69.08 -48.69 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' LEU . 13.2 t60 -51.86 -38.1 54.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 2.0 mp0 -46.06 -20.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 31' ' ' HIS . 67.6 mttt -56.2 -37.49 69.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 4.7 pt -62.16 -16.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.8 m-70 -100.98 -10.58 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 p -117.32 104.5 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -120.46 -178.56 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -99.91 87.76 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -126.58 133.38 24.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.75 7.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.294 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -70.8 120.54 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.71 86.69 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -23.04 31.31 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.6 t 59.46 44.98 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' GLY . 51.9 m 57.54 44.42 21.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -80.01 -14.12 58.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -133.26 87.69 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.37 -136.47 3.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -112.82 -53.92 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -114.72 -60.17 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.21 -154.03 25.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.8 m -60.33 -46.5 89.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 -160.52 20.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -146.35 165.03 30.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HE3' ' CA ' ' A' ' 23' ' ' THR . 29.5 tptt -153.72 134.0 7.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -23.56 30.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.619 2.212 . . . . 0.0 112.383 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -133.97 137.02 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.76 117.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.86 118.71 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.42 35.9 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -127.14 -45.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 p -118.14 -46.63 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.18 -13.03 3.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 7.8 ttmm -45.15 159.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.35 126.89 25.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' CE ' ' A' ' 11' ' ' LYS . 96.8 m-85 -123.47 162.16 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 ' CA ' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -97.76 -45.73 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 25' ' ' ARG . 18.8 mt -89.59 148.54 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' N ' HG22 ' A' ' 24' ' ' ILE . 44.7 ttp85 -61.9 -44.19 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -66.81 -40.93 88.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -48.06 -37.15 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.5 -41.03 33.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.5 mm -49.97 -46.41 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -45.1 94.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 81.0 t60 -50.19 -46.58 54.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -42.51 -23.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' HIS . 51.8 mmtt -52.73 -53.7 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.3 pt -61.02 -17.88 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -91.97 -32.82 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.5 p -79.94 -31.46 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.43 145.39 48.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -87.53 -43.6 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 28.1 tttp -174.13 140.69 0.78 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.72 81.1 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 m 47.83 43.29 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.28 159.05 46.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.84 -48.83 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 4.7 t 36.15 43.72 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.783 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.9 t -90.26 -56.98 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.465 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.78 0.242 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 24.4 m-85 -147.28 133.09 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.4 mp -141.94 121.42 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 4.8 t -59.69 159.93 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -112.71 -31.14 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.2 mm-40 -52.19 -41.59 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.15 -44.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.99 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.58 ' O ' HG23 ' A' ' 14' ' ' ILE . 40.1 mttp -97.52 173.24 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.92 151.71 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.25 170.09 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -113.12 -44.77 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.665 HD12 ' OD1' ' A' ' 27' ' ' ASN . 7.2 mt -92.46 120.45 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -40.55 -41.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.643 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.8 t -68.41 -52.18 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.665 ' OD1' HD12 ' A' ' 24' ' ' ILE . 3.1 m120 -43.26 -34.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.0 tp -74.13 -48.1 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 26' ' ' SER . 52.3 mt -49.21 -52.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -47.65 -46.74 29.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' LYS . 15.3 t60 -56.72 -55.15 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -37.87 -27.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.3 mmtm -58.16 -48.13 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.51 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -58.23 -11.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 42.6 m-70 -99.04 11.98 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.772 0.238 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 17.4 m-85 -118.25 127.54 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.0 mt -144.68 121.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -69.57 78.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.24 -43.64 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' ALA . 34.6 mt-10 -34.64 -56.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -110.25 -48.93 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.6 51.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -110.59 137.38 48.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.14 132.32 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -129.22 173.71 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -122.33 -40.58 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.0 mt -97.09 114.91 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 23.0 tpt180 -39.3 -38.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.3 t -67.64 -47.76 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -46.05 -40.37 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.25 -52.85 23.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 26' ' ' SER . 71.3 mt -43.4 -50.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -61.03 -46.63 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 33' ' ' LYS . 12.2 t-80 -52.48 -46.92 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -44.42 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' HIS . 17.9 mmtp -48.51 -51.94 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.4 pt -54.72 -19.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.62 20.27 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.817 0.257 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.641 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.4 m-85 -142.89 124.08 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.829 HG23 ' O ' ' A' ' 20' ' ' LYS . 81.6 mt -138.11 118.11 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.58 132.57 45.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.39 -21.56 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.522 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -61.17 -40.88 95.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -120.23 -48.1 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.85 35.41 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.829 ' O ' HG23 ' A' ' 14' ' ' ILE . 36.7 tttm -92.35 166.91 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.74 150.83 38.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' HD13 ' A' ' 28' ' ' LEU . 78.3 m-85 -144.38 168.07 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.1 m -113.64 -43.62 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.2 mt -102.57 133.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.94 -46.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 23.0 t -62.71 -36.4 82.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -58.95 -34.06 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' A' ' 13' ' ' TYR . 8.2 tp -89.0 -37.94 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 26' ' ' SER . 20.3 mt -60.61 -32.97 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -80.13 -13.61 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.539 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.6 t60 -93.99 -59.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.0 mt-30 -38.1 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.6 ptmt -56.61 -47.7 79.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 31' ' ' HIS . 13.2 pt -41.25 -27.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 97.5 m-70 -84.56 -37.95 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 61.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.766 0.236 . . . . 0.0 112.292 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -130.96 129.06 41.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mm -124.87 131.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' ALA . 45.5 t -79.25 77.21 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.21 -48.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 7.1 mm-40 -34.48 -59.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -108.09 -49.23 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -92.72 164.07 13.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.74 138.6 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -134.8 135.53 41.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -78.11 -39.13 42.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 26' ' ' SER . 59.1 mt -97.55 119.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -46.39 -34.38 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 24' ' ' ILE . 2.8 m -74.43 -46.9 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -46.64 -30.62 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -79.21 -30.07 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 28.3 mm -62.29 -45.44 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -66.64 -28.37 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -63.16 -47.45 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -44.11 -22.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mmtt -50.76 -49.73 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -62.23 -22.29 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 85.9 m-70 -85.86 -31.73 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.808 0.253 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.64 ' C ' HD12 ' A' ' 14' ' ' ILE . 17.4 m-85 -130.84 132.62 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 13' ' ' TYR . 4.7 mp -143.71 109.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 22' ' ' PHE . 45.1 t -56.23 112.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.57 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.01 -45.25 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.41 47.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 ttpt -115.25 155.42 27.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.51 149.57 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 15' ' ' CYS . 3.3 m-85 -139.83 158.39 44.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -100.68 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.422 HD12 ' ND2' ' A' ' 27' ' ' ASN . 14.9 mt -86.85 122.39 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -44.45 -36.53 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 24' ' ' ILE . 3.7 t -72.44 -56.63 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.807 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 24' ' ' ILE . 6.2 m-20 -38.22 -34.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 22' ' ' PHE . 25.6 tp -73.85 -47.79 35.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' SER . 63.9 mt -57.82 -49.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -28.01 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' LYS . 7.3 t60 -65.87 -48.84 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -43.59 -22.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 31' ' ' HIS . 46.5 mtpt -51.38 -40.92 60.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 pt -56.14 -21.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 27.1 m-70 -84.55 -37.88 20.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.7 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.756 0.232 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' C ' HG13 ' A' ' 14' ' ' ILE . 15.2 m-85 -129.47 143.72 50.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 13' ' ' TYR . 30.4 mt -142.11 131.55 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.17 80.42 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.87 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.21 -57.07 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -106.16 -48.41 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.1 53.03 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.427 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -117.94 145.93 44.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.77 121.4 40.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.454 ' CD2' HD12 ' A' ' 28' ' ' LEU . 96.7 m-85 -119.72 141.27 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -85.98 -43.22 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.5 mm -93.94 124.07 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' SER . 12.8 ptm180 -45.08 -48.78 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 25' ' ' ARG . 6.6 t -58.51 -49.17 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -46.78 -25.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 22' ' ' PHE . 9.0 tp -84.54 -41.26 16.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 26' ' ' SER . 32.2 mt -66.08 -47.46 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -56.94 -26.51 59.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.752 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.9 t60 -93.86 -34.95 12.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -56.83 -27.41 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.577 ' O ' HG22 ' A' ' 36' ' ' THR . 11.8 ptpt -75.33 -12.43 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -70.87 -17.3 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -83.08 -29.11 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 33' ' ' LYS . 7.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.768 0.237 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 32.3 m-85 -125.17 117.62 24.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mt -125.54 135.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.8 t -78.47 109.56 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.59 -56.05 13.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -107.24 -46.12 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.18 20.73 4.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.03 140.25 40.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 118.96 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -122.28 144.45 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.604 HG23 HG13 ' A' ' 24' ' ' ILE . 11.7 t -98.46 -37.16 9.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.604 HG13 HG23 ' A' ' 23' ' ' THR . 23.2 mt -89.15 108.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ptm180 -38.28 -38.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.3 m -68.17 -48.3 65.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -46.78 -33.45 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -78.35 -37.39 44.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 26' ' ' SER . 44.5 mt -63.62 -55.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -26.84 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' LYS . 71.6 t60 -70.99 -47.99 55.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -38.82 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mtmt -57.01 -50.16 73.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -63.33 -19.24 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -88.46 -28.46 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.761 0.234 . . . . 0.0 112.338 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.734 ' C ' HD12 ' A' ' 14' ' ' ILE . 89.0 m-85 -157.78 137.3 12.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.5 mp -145.9 113.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 t -46.94 106.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.96 41.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -130.38 -36.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -127.97 -44.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.11 47.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.94 ' O ' HG23 ' A' ' 14' ' ' ILE . 8.6 mmtp -103.19 -175.15 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.33 138.13 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -140.87 154.47 46.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.2 m -85.19 -56.97 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.82 154.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -65.9 -40.1 91.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -67.97 -53.48 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -39.01 -31.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -82.74 -48.95 10.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -47.87 -39.56 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 41.7 tttt -67.01 -41.47 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 16.1 t60 -60.66 -52.53 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -41.22 -24.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 3.3 mmmm -48.43 -53.29 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.8 pt -46.38 -23.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -90.1 -36.11 15.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.798 0.249 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 88.8 m-85 -132.06 141.67 49.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 13' ' ' TYR . 69.8 mt -146.97 121.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.25 127.64 33.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.07 25.39 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 14.2 mp0 -117.91 -32.61 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -128.57 -41.43 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 40.79 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -98.15 145.33 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.81 137.53 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.11 157.92 45.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.759 HG23 HG13 ' A' ' 24' ' ' ILE . 14.1 t -104.37 -33.55 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.759 HG13 HG23 ' A' ' 23' ' ' THR . 28.2 mt -102.61 146.29 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' NH1' HD11 ' A' ' 29' ' ' ILE . 55.1 ttp85 -66.38 -32.66 74.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . 60.7 p -75.95 -51.24 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -41.81 -29.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -83.55 -43.07 16.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.425 HD11 ' NH1' ' A' ' 25' ' ' ARG . 87.6 mt -55.46 -39.58 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -65.95 -37.83 87.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -57.92 -48.02 81.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -39.09 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.3 mtpt -56.34 -54.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -60.29 -16.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -90.34 12.62 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.894 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.774 0.239 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' C ' HD12 ' A' ' 14' ' ' ILE . 97.3 m-85 -127.32 127.81 44.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.9 mp -132.24 128.65 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 28' ' ' LEU . 12.6 t -58.78 111.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.15 28.12 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -117.82 -45.48 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.73 -47.59 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.48 70.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.792 ' O ' HG23 ' A' ' 14' ' ' ILE . 16.0 mtpp -128.25 -174.86 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -143.38 148.91 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 69.5 m-85 -150.58 162.56 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.47 -52.23 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -91.36 149.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -64.11 -42.09 97.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.578 ' HA ' HD12 ' A' ' 29' ' ' ILE . 78.9 p -66.24 -38.51 88.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -53.85 -38.88 65.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 15' ' ' CYS . 15.0 tp -74.33 -46.54 40.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 26' ' ' SER . 18.9 mt -56.92 -39.72 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -65.28 -31.87 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HD12 ' A' ' 34' ' ' ILE . 1.9 t-80 -71.14 -46.12 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -47.08 -20.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.731 ' O ' HG22 ' A' ' 36' ' ' THR . 35.0 mttm -54.58 -34.77 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.71 -13.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.598 ' N ' HD13 ' A' ' 34' ' ' ILE . 30.5 m-70 -91.36 -34.97 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 33' ' ' LYS . 5.1 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.805 0.252 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CE2' ' O ' ' A' ' 23' ' ' THR . 60.2 m-85 -157.63 118.4 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.0 mm -133.72 106.7 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HB2' HD11 ' A' ' 28' ' ' LEU . 3.4 t -41.28 120.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.35 40.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -133.56 -33.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.5 p -131.79 -41.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.29 26.19 1.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 154.28 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.311 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.29 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -142.71 160.15 40.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 88.2 m -89.67 -51.73 5.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 mt -91.79 151.55 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 21.3 ttm105 -65.41 -46.51 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -61.83 -53.24 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -44.41 -33.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 15' ' ' CYS . 18.4 tp -75.0 -47.02 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -53.97 -41.09 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.64 -21.26 65.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.6 t60 -89.57 -57.96 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -40.14 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.5 mmmt -53.61 -47.07 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.7 pt -45.31 -21.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -89.03 -34.21 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 33' ' ' LYS . 54.2 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.791 0.246 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' HB3' HD22 ' A' ' 28' ' ' LEU . 31.0 m-85 -141.13 135.89 31.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 20' ' ' LYS . 86.4 mt -141.4 129.83 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.77 82.92 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.56 -40.53 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.99 -62.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -101.43 -48.27 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.46 46.23 0.33 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 14' ' ' ILE . 34.2 mttt -104.77 167.39 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 125.76 42.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -119.13 170.44 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -106.64 -53.81 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 mt -94.98 119.48 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ILE . 21.2 ttt85 -34.51 -46.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -62.17 -50.46 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . 53.8 t-20 -48.04 -21.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.5 tp -88.47 -38.43 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.96 -49.11 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.53 -16.64 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 27.0 t60 -93.95 -62.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -40.78 -26.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 pttp -52.58 -44.77 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 35' ' ' HIS . 18.2 pt -46.95 -31.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' N ' HG13 ' A' ' 34' ' ' ILE . 72.5 m80 -79.14 -32.97 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.768 0.237 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.1 m-85 -151.67 114.96 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 13' ' ' TYR . 19.8 mt -140.24 142.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 2.1 t -79.58 159.61 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -107.84 -38.6 5.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.66 -56.99 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -109.43 -42.92 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.09 33.62 1.96 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -77.98 136.62 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.33 126.98 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD2' HD13 ' A' ' 28' ' ' LEU . 70.3 m-85 -127.56 167.73 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.8 m -110.37 -41.08 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.07 118.88 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 11.7 ttp-105 -42.03 -41.19 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 m -65.72 -48.01 73.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -50.92 -22.63 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 22' ' ' PHE . 40.4 tp -90.35 -24.08 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mt -60.36 -40.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -76.36 -35.5 58.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -52.2 -38.63 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -52.03 -16.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -53.18 -43.18 66.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -65.97 -4.47 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -109.9 21.99 16.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.843 0.268 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 72.6 m-85 -148.5 127.31 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 13' ' ' TYR . 21.3 mt -141.25 127.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -53.49 130.68 36.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.32 38.95 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.3 mm-40 -134.57 -36.5 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.79 -46.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 36.44 0.77 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -99.55 138.16 37.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.19 151.19 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -140.88 170.44 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 m -106.17 -45.67 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.4 mt -106.42 111.79 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 ptt180 -37.39 -39.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 3.2 m -60.14 -54.61 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -46.0 -32.76 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 tp -77.43 -33.58 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -47.33 -43.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.8 tttp -65.77 -47.24 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.8 t60 -44.73 -55.47 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -39.37 -30.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 23.8 mmtp -46.07 -50.35 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.489 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.89 -18.6 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 30.0 m-70 -94.31 21.46 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.9 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.786 0.244 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 21.3 m-85 -99.83 109.48 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 98.1 mt -130.08 117.86 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -47.93 133.33 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.25 27.48 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp0 -122.56 -41.12 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -117.71 -49.63 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.88 31.41 0.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -94.62 162.12 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -108.68 164.25 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 63.0 m-85 -155.41 150.27 26.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.7 m -96.73 -36.5 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 26' ' ' SER . 32.7 mm -113.24 136.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.53 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.01 -47.71 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.456 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.2 t -57.04 -52.3 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -45.44 -35.85 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.8 tp -84.07 -45.7 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 26' ' ' SER . 17.3 mt -56.66 -29.22 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -83.27 -26.08 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -72.94 -34.44 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.43 -13.96 1.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -57.87 -53.23 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -57.2 -14.72 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 60.3 m-70 -92.62 -19.08 22.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.88 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.842 0.268 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 19.8 m-85 -122.16 126.59 48.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.1 mm -137.26 130.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.5 t -81.25 81.75 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.64 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -39.72 -55.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.01 -46.32 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.13 37.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -83.75 -178.62 7.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.31 138.99 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -144.52 162.33 36.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.0 m -97.14 -50.69 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt -87.26 147.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 23.1 ttt180 -62.5 -47.66 82.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.711 ' HA ' HD13 ' A' ' 29' ' ' ILE . 59.4 p -61.74 -40.93 96.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.09 -47.67 17.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ILE . 16.3 tp -55.41 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 26' ' ' SER . 3.9 mp -32.93 -54.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -44.96 -46.06 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LEU . 35.2 t-80 -63.2 -41.02 99.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -50.17 -18.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -54.39 -48.28 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -65.8 -13.7 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -98.17 -27.44 14.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.582 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.786 0.244 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 20.8 m-85 -99.8 135.92 40.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.76 HG23 ' O ' ' A' ' 20' ' ' LYS . 78.8 mt -144.75 122.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.13 104.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -66.1 -41.16 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 10.4 mt-10 -35.42 -55.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.4 -49.71 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.59 45.74 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 14' ' ' ILE . 9.7 tptp -100.82 159.51 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.18 146.81 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 87.8 m-85 -149.56 159.26 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.3 m -95.84 -54.38 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.484 HD12 ' OD1' ' A' ' 27' ' ' ASN . 17.6 mt -90.09 124.66 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -41.43 -35.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -68.38 -53.42 24.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' OD1' HD12 ' A' ' 24' ' ' ILE . 4.7 m120 -43.15 -32.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 32' ' ' GLN . 9.6 tp -71.95 -49.91 33.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mm -44.42 -53.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 7.1 tptm -47.88 -60.97 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.727 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.1 t60 -52.46 -49.12 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 16.2 mt-30 -53.02 -15.93 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 5.4 pttp -68.81 -9.55 51.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -79.55 -23.78 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 34' ' ' ILE . 89.7 m-70 -87.49 16.55 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.818 0.257 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 59.5 m-85 -90.0 136.18 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 13' ' ' TYR . 44.5 mm -141.0 125.08 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.49 75.78 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.11 -44.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 18.3 mm-40 -36.03 -58.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.16 -46.11 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.47 39.11 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.437 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -99.42 165.84 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 138.53 54.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.5 m-85 -133.16 151.95 51.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.7 m -94.26 -38.98 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -109.38 130.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -47.89 -39.38 18.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.534 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.7 m -63.75 -44.72 92.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -56.93 -30.69 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 HD13 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -80.51 -27.36 37.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 26' ' ' SER . 66.0 mt -69.69 -46.45 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -59.45 -40.38 86.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 45.5 t60 -53.31 -48.15 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -37.14 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.6 mmmt -56.95 -50.51 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -57.65 -19.71 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -85.85 -14.36 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.841 0.267 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 61.8 m-85 -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 142.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -82.54 103.73 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.79 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 70.8 mm-40 -48.77 -66.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.34 -48.93 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.93 61.8 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -118.67 132.78 56.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.48 138.35 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 28' ' ' LEU . 48.6 m-85 -130.85 157.07 43.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 p -82.89 -46.94 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.34 140.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ttm180 -56.47 -49.99 73.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -57.45 -56.15 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.38 -36.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -68.96 -56.2 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 mm -34.15 -34.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 ttpm? -69.08 -48.69 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' LEU . 13.2 t60 -51.86 -38.1 54.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 2.0 mp0 -46.06 -20.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 31' ' ' HIS . 67.6 mttt -56.2 -37.49 69.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 4.7 pt -62.16 -16.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.8 m-70 -100.98 -10.58 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.832 0.263 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' C ' HD12 ' A' ' 14' ' ' ILE . 88.1 m-85 -133.97 137.02 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 13' ' ' TYR . 5.4 mp -144.76 117.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.86 118.71 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.42 35.9 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -127.14 -45.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 p -118.14 -46.63 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.18 -13.03 3.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 7.8 ttmm -45.15 159.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.35 126.89 25.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -123.47 162.16 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -45.73 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -89.59 148.54 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -61.9 -44.19 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -66.81 -40.93 88.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -48.06 -37.15 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.5 -41.03 33.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.5 mm -49.97 -46.41 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -45.1 94.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.705 ' CE1' HD11 ' A' ' 34' ' ' ILE . 81.0 t60 -50.19 -46.58 54.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -42.51 -23.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' HIS . 51.8 mmtt -52.73 -53.7 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.705 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.3 pt -61.02 -17.88 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -91.97 -32.82 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -132.35 150.07 52.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -64.91 123.42 19.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.01 -93.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -156.23 143.97 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -59.09 166.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.36 -54.54 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 m -76.26 91.51 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.02 97.86 2.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' LYS . 23.8 tt0 -143.95 154.4 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.823 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 28.4 mmtp -36.46 149.56 0.15 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.78 -11.05 30.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 24.4 m-85 -147.28 133.09 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.4 mp -141.94 121.42 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 4.8 t -59.69 159.93 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -112.71 -31.14 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.2 mm-40 -52.19 -41.59 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.15 -44.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.99 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.58 ' O ' HG23 ' A' ' 14' ' ' ILE . 40.1 mttp -97.52 173.24 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.823 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -125.92 151.71 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.25 170.09 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -113.12 -44.77 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.665 HD12 ' OD1' ' A' ' 27' ' ' ASN . 7.2 mt -92.46 120.45 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -40.55 -41.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.643 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.8 t -68.41 -52.18 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.665 ' OD1' HD12 ' A' ' 24' ' ' ILE . 3.1 m120 -43.26 -34.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.0 tp -74.13 -48.1 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 26' ' ' SER . 52.3 mt -49.21 -52.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -47.65 -46.74 29.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' LYS . 15.3 t60 -56.72 -55.15 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -37.87 -27.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.3 mmtm -58.16 -48.13 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.51 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -58.23 -11.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 42.6 m-70 -99.04 11.98 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 m -121.54 81.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -53.16 156.47 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 39' ' ' LYS . 9.5 tp-100 -134.1 83.14 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -34.61 143.72 0.21 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.5 14.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -99.39 93.5 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.15 -158.59 23.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 138.15 37.0 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -45.37 -61.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -126.43 123.51 38.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.457 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -107.66 151.14 26.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.814 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -133.57 148.41 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.96 -176.51 20.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -165.31 146.31 7.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -139.9 143.22 36.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.86 165.24 33.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.0 m -156.04 135.22 12.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 171.47 15.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -112.51 100.56 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.659 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 25.0 mtmm -124.48 79.51 61.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -0.59 7.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 17.4 m-85 -118.25 127.54 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.0 mt -144.68 121.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -69.57 78.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.24 -43.64 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' ALA . 34.6 mt-10 -34.64 -56.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -110.25 -48.93 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.6 51.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -110.59 137.38 48.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.659 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -93.14 132.32 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -129.22 173.71 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -122.33 -40.58 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.0 mt -97.09 114.91 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 23.0 tpt180 -39.3 -38.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.3 t -67.64 -47.76 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -46.05 -40.37 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.25 -52.85 23.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 26' ' ' SER . 71.3 mt -43.4 -50.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -61.03 -46.63 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 33' ' ' LYS . 23.9 t60 -52.48 -46.92 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -44.42 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' HIS . 17.9 mmtp -48.51 -51.94 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.4 pt -54.72 -19.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.62 20.27 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -121.29 44.81 2.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -107.68 147.21 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -45.92 154.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 24.7 ttmt 53.45 54.81 12.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.567 0.699 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.76 162.8 40.67 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.377 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -65.92 174.73 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.81 151.05 19.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 108.04 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.38 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.9 m -81.35 157.7 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 m -139.39 152.6 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.204 -0.776 . . . . 0.0 112.502 -179.957 . . . . . . . . 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 -0.311 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -107.86 89.64 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -156.58 131.96 9.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.52 166.82 12.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -85.09 116.53 23.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -145.58 127.36 15.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -76.99 -126.07 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 34.4 p 36.11 41.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.72 -41.76 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.01 87.83 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.878 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -83.61 149.14 56.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -15.44 36.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.641 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.4 m-85 -142.89 124.08 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.829 HG23 ' O ' ' A' ' 20' ' ' LYS . 81.6 mt -138.11 118.11 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.58 132.57 45.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.39 -21.56 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.522 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -61.17 -40.88 95.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -120.23 -48.1 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.85 35.41 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.829 ' O ' HG23 ' A' ' 14' ' ' ILE . 36.7 tttm -92.35 166.91 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.878 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -117.74 150.83 38.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' HD13 ' A' ' 28' ' ' LEU . 78.3 m-85 -144.38 168.07 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.1 m -113.64 -43.62 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.2 mt -102.57 133.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.94 -46.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 23.0 t -62.71 -36.4 82.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -58.95 -34.06 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' A' ' 13' ' ' TYR . 8.2 tp -89.0 -37.94 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 26' ' ' SER . 20.3 mt -60.61 -32.97 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -80.13 -13.61 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.539 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.6 t60 -93.99 -59.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.0 mt-30 -38.1 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.6 ptmt -56.61 -47.7 79.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 31' ' ' HIS . 13.2 pt -41.25 -27.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 97.5 m-70 -84.56 -37.95 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 61.9 m -50.24 148.16 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt 59.63 47.01 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -96.51 -55.47 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.961 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 44.9 tttt -67.42 143.09 96.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.578 0.704 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.4 Cg_endo -69.78 106.34 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -110.6 174.68 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.43 -158.85 33.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.38 60.48 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -127.19 177.6 6.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m -139.08 165.02 28.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.46 -179.945 . . . . . . . . 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 1.451 -0.345 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -92.91 122.33 35.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -104.91 123.9 48.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.11 -72.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -43.32 -44.11 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.395 . . . . 0.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -113.15 121.43 44.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.25 114.04 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -52.74 -19.18 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.88 110.02 0.74 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -151.11 114.68 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER 49.41 52.19 12.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 2.74 3.26 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.735 2.29 . . . . 0.0 112.292 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -130.96 129.06 41.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mm -124.87 131.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' ALA . 45.5 t -79.25 77.21 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.21 -48.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 7.1 mm-40 -34.48 -59.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -108.09 -49.23 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -92.72 164.07 13.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 11' ' ' LYS . . . -117.74 138.6 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -134.8 135.53 41.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -78.11 -39.13 42.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 26' ' ' SER . 59.1 mt -97.55 119.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -46.39 -34.38 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 24' ' ' ILE . 2.8 m -74.43 -46.9 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -46.64 -30.62 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -79.21 -30.07 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 28.3 mm -62.29 -45.44 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -66.64 -28.37 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -63.16 -47.45 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -44.11 -22.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mmtt -50.76 -49.73 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -62.23 -22.29 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 85.9 m-70 -85.86 -31.73 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.8 p -94.15 155.3 17.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -115.55 175.49 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -93.89 -47.86 6.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.89 144.0 67.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 176.41 6.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.383 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.0 t -99.29 -44.63 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.24 -158.96 33.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.444 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.9 22.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -60.86 169.85 1.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.5 t -98.53 -50.46 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.493 179.977 . . . . . . . . 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 1.45 -0.378 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -130.81 172.86 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 p -113.94 166.65 11.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.15 163.78 9.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -89.99 121.99 32.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -88.46 45.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.55 119.22 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 t -50.34 139.98 14.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 111.179 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.57 63.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -76.17 157.0 33.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.571 ' O ' HD11 ' A' ' 14' ' ' ILE . 1.6 mppt? -72.64 143.56 85.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.72 -5.93 17.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.374 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.64 ' C ' HD12 ' A' ' 14' ' ' ILE . 17.4 m-85 -130.84 132.62 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 13' ' ' TYR . 4.7 mp -143.71 109.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 22' ' ' PHE . 45.1 t -56.23 112.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.57 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.01 -45.25 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.41 47.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 ttpt -115.25 155.42 27.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.51 149.57 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 15' ' ' CYS . 3.3 m-85 -139.83 158.39 44.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -100.68 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.422 HD12 ' ND2' ' A' ' 27' ' ' ASN . 14.9 mt -86.85 122.39 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -44.45 -36.53 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 24' ' ' ILE . 3.7 t -72.44 -56.63 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.807 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 24' ' ' ILE . 6.2 m-20 -38.22 -34.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 22' ' ' PHE . 25.6 tp -73.85 -47.79 35.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' SER . 63.9 mt -57.82 -49.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -28.01 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' LYS . 7.3 t60 -65.87 -48.84 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -43.59 -22.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 31' ' ' HIS . 46.5 mtpt -51.38 -40.92 60.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 pt -56.14 -21.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 27.1 m-70 -84.55 -37.88 20.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.7 p -56.4 -31.79 64.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -107.01 112.97 26.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -50.96 139.69 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 62.45 20.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.521 0.677 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.63 28.48 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -174.67 111.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.15 85.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 135.64 30.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -72.7 173.67 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -50.19 -46.42 54.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.516 -179.997 . . . . . . . . 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 1.45 -0.367 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 3' ' ' SER . 22.6 t 48.62 41.98 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.352 . . . . 0.0 110.896 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.5 m -36.17 -48.25 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.83 99.41 1.25 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 p -129.56 91.81 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -105.38 89.01 2.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.81 132.9 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.0 m -54.15 107.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 111.182 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.35 138.16 6.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 17.1 tp10 -104.82 155.11 19.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -126.49 76.31 73.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.83 19.54 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' C ' HG13 ' A' ' 14' ' ' ILE . 15.2 m-85 -129.47 143.72 50.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 13' ' ' TYR . 30.4 mt -142.11 131.55 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.17 80.42 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.87 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.21 -57.07 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -106.16 -48.41 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.1 53.03 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.427 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -117.94 145.93 44.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.77 121.4 40.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.454 ' CD2' HD12 ' A' ' 28' ' ' LEU . 96.7 m-85 -119.72 141.27 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -85.98 -43.22 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.5 mm -93.94 124.07 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' SER . 12.8 ptm180 -45.08 -48.78 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 25' ' ' ARG . 6.6 t -58.51 -49.17 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -46.78 -25.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 22' ' ' PHE . 9.0 tp -84.54 -41.26 16.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 26' ' ' SER . 32.2 mt -66.08 -47.46 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -56.94 -26.51 59.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.752 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.9 t60 -93.86 -34.95 12.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -56.83 -27.41 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.577 ' O ' HG22 ' A' ' 36' ' ' THR . 11.8 ptpt -75.33 -12.43 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -70.87 -17.3 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -83.08 -29.11 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 33' ' ' LYS . 7.5 t -38.67 150.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -70.15 105.15 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 39' ' ' LYS . 30.8 tt0 -139.26 119.52 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 23.8 pttt 34.42 52.65 1.31 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.708 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.75 -177.48 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -111.75 168.57 9.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.76 -95.0 1.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.29 27.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.6 p -157.95 166.25 33.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.6 t -51.47 105.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.443 179.964 . . . . . . . . 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 -0.309 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -172.25 132.09 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m 38.95 43.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.823 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.66 -106.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -86.97 118.07 26.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -76.43 -57.78 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.94 154.89 19.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -123.13 -39.82 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 111.154 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.63 -178.53 39.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -128.3 46.84 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -79.83 145.0 61.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.79 -23.67 30.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 32.3 m-85 -125.17 117.62 24.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mt -125.54 135.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.8 t -78.47 109.56 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.59 -56.05 13.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -107.24 -46.12 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.18 20.73 4.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.03 140.25 40.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 118.96 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -122.28 144.45 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.604 HG23 HG13 ' A' ' 24' ' ' ILE . 11.7 t -98.46 -37.16 9.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.604 HG13 HG23 ' A' ' 23' ' ' THR . 23.2 mt -89.15 108.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ptm180 -38.28 -38.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.3 m -68.17 -48.3 65.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -46.78 -33.45 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -78.35 -37.39 44.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 26' ' ' SER . 44.5 mt -63.62 -55.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -26.84 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' LYS . 71.6 t60 -70.99 -47.99 55.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -38.82 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mtmt -57.01 -50.16 73.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -63.33 -19.24 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -88.46 -28.46 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -86.32 42.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' LYS . 40.8 mttm -156.23 106.09 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' LYS . 35.9 mt-30 -36.48 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -73.11 151.63 90.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -45.26 1.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.0 p -119.2 133.47 55.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.92 146.45 18.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 129.92 18.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' SER . 33.2 p -75.33 -54.22 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' SER . 52.7 p -38.14 125.33 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.477 -179.966 . . . . . . . . 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 -0.338 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -137.28 175.36 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -169.24 139.49 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.2 70.23 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 p -129.76 155.46 45.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.898 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -59.29 -45.0 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.31 142.72 4.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.4 p -116.39 111.78 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.83 -175.98 22.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.47 103.52 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.663 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.89 148.94 39.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.855 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.78 -4.3 13.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.734 ' C ' HD12 ' A' ' 14' ' ' ILE . 89.0 m-85 -157.78 137.3 12.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.5 mp -145.9 113.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 t -46.94 106.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.96 41.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -130.38 -36.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -127.97 -44.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.11 47.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.94 ' O ' HG23 ' A' ' 14' ' ' ILE . 8.6 mmtp -103.19 -175.15 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.663 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -146.33 138.13 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -140.87 154.47 46.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.2 m -85.19 -56.97 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.82 154.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -65.9 -40.1 91.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -67.97 -53.48 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -39.01 -31.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -82.74 -48.95 10.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -47.87 -39.56 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 41.7 tttt -67.01 -41.47 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 16.1 t60 -60.66 -52.53 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -41.22 -24.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 3.3 mmmm -48.43 -53.29 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.8 pt -46.38 -23.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -90.1 -36.11 15.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p -88.26 41.63 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 144.42 50.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -84.9 120.95 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.66 148.39 40.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 102.34 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 m -54.15 135.06 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.76 143.85 3.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.07 9.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.7 t -131.86 44.74 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -68.72 -59.0 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.482 -179.98 . . . . . . . . 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 -0.34 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -124.94 96.41 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -86.84 164.78 16.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.94 -43.24 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -162.3 131.73 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -122.06 140.95 51.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.96 66.07 0.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.2 p -74.61 -45.02 47.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.35 144.21 7.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.69 140.92 35.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 2.8 mptp? -130.72 152.74 81.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.88 29.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 88.8 m-85 -132.06 141.67 49.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 13' ' ' TYR . 69.8 mt -146.97 121.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.25 127.64 33.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.07 25.39 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 14.2 mp0 -117.91 -32.61 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -128.57 -41.43 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 40.79 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -98.15 145.33 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -98.81 137.53 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.11 157.92 45.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.759 HG23 HG13 ' A' ' 24' ' ' ILE . 14.1 t -104.37 -33.55 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.759 HG13 HG23 ' A' ' 23' ' ' THR . 28.2 mt -102.61 146.29 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' NH1' HD11 ' A' ' 29' ' ' ILE . 55.1 ttp85 -66.38 -32.66 74.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . 60.7 p -75.95 -51.24 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -41.81 -29.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -83.55 -43.07 16.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.425 HD11 ' NH1' ' A' ' 25' ' ' ARG . 87.6 mt -55.46 -39.58 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -65.95 -37.83 87.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -57.92 -48.02 81.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -39.09 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.3 mtpt -56.34 -54.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -60.29 -16.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -90.34 12.62 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 m -111.45 -45.26 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -93.05 114.67 27.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -115.97 40.0 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.47 137.2 19.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 97.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.227 . . . . 0.0 112.4 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 m -91.21 -46.91 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.55 -74.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 114.98 3.87 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.9 p -94.57 -43.24 8.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.3 p -108.68 -48.17 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.076 -0.847 . . . . 0.0 112.488 179.997 . . . . . . . . 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 -0.337 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -102.87 95.46 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -119.92 -60.6 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.43 171.18 39.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -133.11 -43.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -103.69 97.28 7.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.98 -65.91 0.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.8 p -107.99 111.87 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.02 -142.67 3.5 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 10.2 pt-20 -111.04 38.6 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 9.0 mptt -114.39 61.71 1.16 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.76 2.35 3.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' C ' HD12 ' A' ' 14' ' ' ILE . 97.3 m-85 -127.32 127.81 44.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.9 mp -132.24 128.65 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 28' ' ' LEU . 12.6 t -58.78 111.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.15 28.12 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -117.82 -45.48 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.73 -47.59 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.48 70.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.792 ' O ' HG23 ' A' ' 14' ' ' ILE . 16.0 mtpp -128.25 -174.86 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -143.38 148.91 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 69.5 m-85 -150.58 162.56 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.47 -52.23 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -91.36 149.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -64.11 -42.09 97.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.578 ' HA ' HD12 ' A' ' 29' ' ' ILE . 78.9 p -66.24 -38.51 88.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -53.85 -38.88 65.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 15' ' ' CYS . 15.0 tp -74.33 -46.54 40.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 26' ' ' SER . 18.9 mt -56.92 -39.72 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -65.28 -31.87 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HD12 ' A' ' 34' ' ' ILE . 8.3 t60 -71.14 -46.12 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -47.08 -20.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.731 ' O ' HG22 ' A' ' 36' ' ' THR . 35.0 mttm -54.58 -34.77 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.71 -13.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.598 ' N ' HD13 ' A' ' 34' ' ' ILE . 30.5 m-70 -91.36 -34.97 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 33' ' ' LYS . 5.1 t -40.92 138.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -119.19 133.21 55.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -142.85 169.54 17.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.54 139.08 49.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 92.22 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 p -126.6 -37.56 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.84 -158.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.75 1.62 4.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' PRO . 38.4 t -34.78 122.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 t 66.18 38.26 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.464 -179.98 . . . . . . . . 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 1.45 -0.37 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -146.2 135.3 22.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -152.49 169.75 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.813 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.0 39.76 3.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -115.99 153.74 31.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -60.54 94.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.82 71.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -158.25 120.31 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.122 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.82 -55.8 0.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 63.32 42.59 6.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.601 ' HB3' HD11 ' A' ' 14' ' ' ILE . 34.9 tptt -62.74 136.06 96.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD2' ' CD ' ' A' ' 11' ' ' LYS . 53.4 Cg_endo -69.78 -3.37 11.89 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CE2' ' O ' ' A' ' 23' ' ' THR . 60.2 m-85 -157.63 118.4 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 11' ' ' LYS . 37.0 mm -133.72 106.7 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HB2' HD11 ' A' ' 28' ' ' LEU . 3.4 t -41.28 120.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.35 40.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 22.3 mm-40 -133.56 -33.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.5 p -131.79 -41.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.29 26.19 1.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 154.28 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.311 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.29 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -142.71 160.15 40.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 88.2 m -89.67 -51.73 5.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 mt -91.79 151.55 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 21.3 ttm105 -65.41 -46.51 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -61.83 -53.24 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -44.41 -33.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 15' ' ' CYS . 18.4 tp -75.0 -47.02 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -53.97 -41.09 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.64 -21.26 65.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.6 t60 -89.57 -57.96 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -40.14 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.5 mmmt -53.61 -47.07 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.7 pt -45.31 -21.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 52.6 m-70 -89.03 -34.21 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' LYS . 54.2 p -75.99 -37.1 58.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' THR . 44.0 mmtt -34.62 -55.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -85.0 74.77 10.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 28.3 tttp -137.97 139.6 26.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.2 Cg_endo -69.72 157.4 60.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.733 2.289 . . . . 0.0 112.361 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 m -96.36 121.72 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.787 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.85 169.83 17.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.1 Cg_endo -69.83 -5.46 16.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 0.0 112.315 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' PRO . 7.8 t -36.81 128.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.8 m -120.93 42.32 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.46 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' GLY . 57.2 p -37.92 -43.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m 40.06 42.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.16 -140.86 31.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -120.5 100.8 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.939 0.4 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -39.78 156.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.32 68.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.2 m -115.91 107.2 14.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.83 179.54 51.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -140.54 123.68 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.963 0.411 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 147.12 55.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.28 18.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.316 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' HB3' HD22 ' A' ' 28' ' ' LEU . 31.0 m-85 -141.13 135.89 31.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 20' ' ' LYS . 86.4 mt -141.4 129.83 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.77 82.92 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.56 -40.53 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.99 -62.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -101.43 -48.27 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.46 46.23 0.33 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 14' ' ' ILE . 34.2 mttt -104.77 167.39 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 125.76 42.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -119.13 170.44 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -106.64 -53.81 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 mt -94.98 119.48 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ILE . 21.2 ttt85 -34.51 -46.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -62.17 -50.46 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . 53.8 t-20 -48.04 -21.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.5 tp -88.47 -38.43 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.96 -49.11 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.53 -16.64 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 27.0 t60 -93.95 -62.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -40.78 -26.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 pttp -52.58 -44.77 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 35' ' ' HIS . 18.2 pt -46.95 -31.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.4 m-70 -79.14 -32.97 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 m -71.74 -30.63 65.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -84.54 43.36 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -106.97 -43.91 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -89.15 140.85 28.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.513 0.673 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -51.04 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -134.18 50.68 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.6 179.9 23.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -176.61 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.339 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -70.87 -46.95 61.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 p -166.76 155.0 10.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.501 -179.992 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -151.48 113.48 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.82 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 t -172.57 130.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.36 139.32 5.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -149.05 109.85 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 p -60.05 -47.58 85.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -174.86 -105.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLY . 82.3 p -37.1 140.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.155 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.77 -135.03 1.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -63.04 156.7 24.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -129.34 152.05 78.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.682 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.73 -0.72 7.3 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.322 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.1 m-85 -151.67 114.96 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 13' ' ' TYR . 19.8 mt -140.24 142.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 2.1 t -79.58 159.61 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -107.84 -38.6 5.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.66 -56.99 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -109.43 -42.92 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.09 33.62 1.96 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -77.98 136.62 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.33 126.98 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD2' HD13 ' A' ' 28' ' ' LEU . 70.3 m-85 -127.56 167.73 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.8 m -110.37 -41.08 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.07 118.88 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 11.7 ttp-105 -42.03 -41.19 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 m -65.72 -48.01 73.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -50.92 -22.63 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 22' ' ' PHE . 40.4 tp -90.35 -24.08 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mt -60.36 -40.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -76.36 -35.5 58.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -52.2 -38.63 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -52.03 -16.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -53.18 -43.18 66.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -65.97 -4.47 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -109.9 21.99 16.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -161.51 137.2 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -122.16 124.32 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -38.14 150.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -144.64 160.6 47.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 2.8 3.18 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.398 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 t -72.39 81.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.15 146.18 7.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.273 . . . . 0.0 112.378 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -98.13 179.35 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.4 p -137.81 126.67 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.452 179.97 . . . . . . . . 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 1.452 -0.28 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -56.48 144.22 32.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -96.17 -49.01 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.35 -155.58 21.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -71.82 139.9 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -83.03 -49.19 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.2 135.34 2.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -61.66 -55.04 34.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.177 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.35 173.7 19.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -125.61 40.6 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.41 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.532 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER 38.21 54.95 4.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.925 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.75 -0.21 6.58 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.359 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 72.6 m-85 -148.5 127.31 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 13' ' ' TYR . 21.3 mt -141.25 127.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -53.49 130.68 36.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.32 38.95 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.3 mm-40 -134.57 -36.5 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.79 -46.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 36.44 0.77 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -99.55 138.16 37.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.532 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -94.19 151.19 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -140.88 170.44 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 m -106.17 -45.67 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.4 mt -106.42 111.79 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 ptt180 -37.39 -39.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 3.2 m -60.14 -54.61 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -46.0 -32.76 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 tp -77.43 -33.58 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -47.33 -43.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.8 tttp -65.77 -47.24 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.8 t60 -44.73 -55.47 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -39.37 -30.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 23.8 mmtp -46.07 -50.35 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.489 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.89 -18.6 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 30.0 m-70 -94.31 21.46 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p -83.94 -35.78 23.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -84.98 94.68 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.19 102.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' NZ ' ' HD2' ' A' ' 40' ' ' PRO . 12.2 tptp -155.12 130.31 5.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' NZ ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.76 92.67 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.287 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.2 m -92.68 -48.96 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.05 67.89 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 104.68 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -163.16 115.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -100.06 147.08 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.471 -179.978 . . . . . . . . 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 -0.351 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -128.75 83.12 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -172.35 172.5 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 156.29 22.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p -90.73 3.46 54.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.912 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -167.73 117.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.32 60.99 4.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -112.33 -54.37 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.03 169.22 30.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -135.77 165.08 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -74.43 133.85 77.04 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.72 -20.3 35.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 21.3 m-85 -99.83 109.48 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 98.1 mt -130.08 117.86 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -47.93 133.33 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.25 27.48 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp0 -122.56 -41.12 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -117.71 -49.63 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.88 31.41 0.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -94.62 162.12 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -108.68 164.25 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 63.0 m-85 -155.41 150.27 26.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.7 m -96.73 -36.5 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 26' ' ' SER . 32.7 mm -113.24 136.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.53 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.01 -47.71 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.456 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.2 t -57.04 -52.3 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -45.44 -35.85 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.8 tp -84.07 -45.7 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 26' ' ' SER . 17.3 mt -56.66 -29.22 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -83.27 -26.08 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -72.94 -34.44 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.43 -13.96 1.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -57.87 -53.23 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -57.2 -14.72 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 60.3 m-70 -92.62 -19.08 22.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -120.18 148.32 43.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mttp 60.57 41.01 16.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -121.5 -14.87 8.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -89.67 138.52 28.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.385 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 m 42.32 41.91 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.67 -83.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.41 25.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.3 t -51.1 -57.74 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.4 p -130.75 74.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.498 -179.961 . . . . . . . . 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 -0.35 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -83.56 42.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -50.37 117.48 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.79 -173.05 28.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 15.3 t -157.27 161.95 39.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -55.25 145.68 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.93 146.38 16.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -146.06 140.67 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.17 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.23 -167.74 23.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -122.79 121.57 36.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -110.82 137.55 20.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -14.51 36.29 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 19.8 m-85 -122.16 126.59 48.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.1 mm -137.26 130.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.5 t -81.25 81.75 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.64 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -39.72 -55.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.01 -46.32 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.13 37.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -83.75 -178.62 7.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.31 138.99 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -144.52 162.33 36.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.0 m -97.14 -50.69 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt -87.26 147.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 23.1 ttt180 -62.5 -47.66 82.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.711 ' HA ' HD13 ' A' ' 29' ' ' ILE . 59.4 p -61.74 -40.93 96.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.09 -47.67 17.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ILE . 16.3 tp -55.41 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 26' ' ' SER . 3.9 mp -32.93 -54.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -44.96 -46.06 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 69.6 t60 -63.2 -41.02 99.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -50.17 -18.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -54.39 -48.28 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -65.8 -13.7 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -98.17 -27.44 14.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m -92.24 101.78 14.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -155.26 142.75 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -136.68 166.03 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -69.57 137.35 88.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.516 0.674 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -173.37 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 m -55.48 -43.84 75.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.03 -86.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.446 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.71 40.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 p -116.44 140.36 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -130.98 121.69 25.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.493 -179.953 . . . . . . . . 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 -0.343 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -110.85 111.77 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -144.93 146.94 32.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.95 96.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 m -125.25 132.91 52.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.6 t -123.51 88.72 2.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.54 63.54 0.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 8' ' ' THR . 10.2 t -110.95 112.03 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.64 119.04 1.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.893 ' O ' HG23 ' A' ' 23' ' ' THR . 36.3 mt-10 -88.33 45.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -131.18 74.6 79.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.895 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.582 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.81 -20.2 34.9 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.669 2.246 . . . . 0.0 112.31 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 20.8 m-85 -99.8 135.92 40.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.76 HG23 ' O ' ' A' ' 20' ' ' LYS . 78.8 mt -144.75 122.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.13 104.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -66.1 -41.16 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 10.4 mt-10 -35.42 -55.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.4 -49.71 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.59 45.74 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 14' ' ' ILE . 9.7 tptp -100.82 159.51 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.18 146.81 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 87.8 m-85 -149.56 159.26 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.893 HG23 ' O ' ' A' ' 10' ' ' GLU . 25.3 m -95.84 -54.38 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.484 HD12 ' OD1' ' A' ' 27' ' ' ASN . 17.6 mt -90.09 124.66 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -41.43 -35.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -68.38 -53.42 24.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' OD1' HD12 ' A' ' 24' ' ' ILE . 4.7 m120 -43.15 -32.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 32' ' ' GLN . 9.6 tp -71.95 -49.91 33.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mm -44.42 -53.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 7.1 tptm -47.88 -60.97 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.727 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.1 t60 -52.46 -49.12 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 16.2 mt-30 -53.02 -15.93 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 5.4 pttp -68.81 -9.55 51.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -79.55 -23.78 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 34' ' ' ILE . 89.7 m-70 -87.49 16.55 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.6 p -76.65 -27.19 55.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -86.63 172.14 10.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -157.15 170.48 22.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 14.2 tptm -76.75 138.99 66.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.78 165.5 30.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -64.05 -66.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.46 146.02 12.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.92 17.36 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 m -42.1 159.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 p -164.13 133.81 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.468 -179.992 . . . . . . . . 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 -0.354 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 p -148.24 107.34 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -112.32 169.57 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.46 -135.19 2.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -173.12 134.8 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.9 p -79.46 147.82 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.41 -75.0 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 53.35 52.51 13.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.145 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.61 133.05 13.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.44 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -111.11 40.81 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 6.8 mtmm -146.38 143.97 20.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.555 0.693 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.76 -32.24 18.97 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 59.5 m-85 -90.0 136.18 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 13' ' ' TYR . 44.5 mm -141.0 125.08 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.49 75.78 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.11 -44.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 18.3 mm-40 -36.03 -58.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.16 -46.11 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.47 39.11 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.437 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -99.42 165.84 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -122.45 138.53 54.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.5 m-85 -133.16 151.95 51.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.7 m -94.26 -38.98 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -109.38 130.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -47.89 -39.38 18.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.534 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.7 m -63.75 -44.72 92.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -56.93 -30.69 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.406 HD13 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -80.51 -27.36 37.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 26' ' ' SER . 66.0 mt -69.69 -46.45 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -59.45 -40.38 86.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 45.5 t60 -53.31 -48.15 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -37.14 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.6 mmmt -56.95 -50.51 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -57.65 -19.71 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -85.85 -14.36 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -105.42 -5.17 20.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -80.63 -25.58 38.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -46.21 -25.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -44.53 143.6 2.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.636 0.731 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -168.93 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 49.0 m 59.28 42.45 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 37.62 -158.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.539 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 86.14 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.305 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -78.68 47.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.2 p -96.85 174.11 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.512 -179.963 . . . . . . . . 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 1.451 -0.334 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -136.01 106.4 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -107.93 86.19 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.55 40.29 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -110.58 85.75 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 0.0 110.865 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m -111.97 143.35 43.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.18 46.35 1.46 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -137.33 134.93 36.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.08 60.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.538 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.24 135.82 55.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -120.2 155.5 55.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -14.63 36.4 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 61.8 m-85 -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 142.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -82.54 103.73 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.79 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 70.8 mm-40 -48.77 -66.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.34 -48.93 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.93 61.8 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -118.67 132.78 56.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.48 138.35 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 28' ' ' LEU . 48.6 m-85 -130.85 157.07 43.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 p -82.89 -46.94 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.34 140.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ttm180 -56.47 -49.99 73.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -57.45 -56.15 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.38 -36.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -68.96 -56.2 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 mm -34.15 -34.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 ttpm? -69.08 -48.69 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' LEU . 13.2 t60 -51.86 -38.1 54.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 2.0 mp0 -46.06 -20.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 31' ' ' HIS . 67.6 mttt -56.2 -37.49 69.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 4.7 pt -62.16 -16.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.8 m-70 -100.98 -10.58 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 p -117.32 104.5 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -120.46 -178.56 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -99.91 87.76 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -126.58 133.38 24.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.75 7.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.294 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -70.8 120.54 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.71 86.69 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -23.04 31.31 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.6 t 59.46 44.98 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' GLY . 51.9 m 57.54 44.42 21.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -80.01 -14.12 58.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -133.26 87.69 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.37 -136.47 3.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -112.82 -53.92 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -114.72 -60.17 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.21 -154.03 25.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.8 m -60.33 -46.5 89.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 -160.52 20.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -146.35 165.03 30.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.758 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 29.5 tptt -153.72 134.0 7.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -23.56 30.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.619 2.212 . . . . 0.0 112.383 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' C ' HD12 ' A' ' 14' ' ' ILE . 88.1 m-85 -133.97 137.02 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 11' ' ' LYS . 5.4 mp -144.76 117.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.86 118.71 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.42 35.9 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -127.14 -45.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 p -118.14 -46.63 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.18 -13.03 3.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 7.8 ttmm -45.15 159.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB1' ' HG2' ' A' ' 11' ' ' LYS . . . -137.35 126.89 25.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' CE ' ' A' ' 11' ' ' LYS . 96.8 m-85 -123.47 162.16 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.477 ' CA ' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -97.76 -45.73 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -89.59 148.54 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -61.9 -44.19 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -66.81 -40.93 88.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -48.06 -37.15 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.5 -41.03 33.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.5 mm -49.97 -46.41 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -45.1 94.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.705 ' CE1' HD11 ' A' ' 34' ' ' ILE . 81.0 t60 -50.19 -46.58 54.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -42.51 -23.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' HIS . 51.8 mmtt -52.73 -53.7 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.705 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.3 pt -61.02 -17.88 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -91.97 -32.82 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.5 p -79.94 -31.46 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.43 145.39 48.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -87.53 -43.6 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 28.1 tttp -174.13 140.69 0.78 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.72 81.1 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 m 47.83 43.29 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.28 159.05 46.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.84 -48.83 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 4.7 t 36.15 43.72 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.783 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.9 t -90.26 -56.98 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.465 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.78 0.242 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 24.4 m-85 -147.28 133.09 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.4 mp -141.94 121.42 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 4.8 t -59.69 159.93 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -112.71 -31.14 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.2 mm-40 -52.19 -41.59 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.15 -44.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.99 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.58 ' O ' HG23 ' A' ' 14' ' ' ILE . 40.1 mttp -97.52 173.24 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.92 151.71 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.25 170.09 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -113.12 -44.77 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.665 HD12 ' OD1' ' A' ' 27' ' ' ASN . 7.2 mt -92.46 120.45 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -40.55 -41.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.643 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.8 t -68.41 -52.18 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.665 ' OD1' HD12 ' A' ' 24' ' ' ILE . 3.1 m120 -43.26 -34.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.0 tp -74.13 -48.1 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 26' ' ' SER . 52.3 mt -49.21 -52.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -47.65 -46.74 29.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' LYS . 15.3 t60 -56.72 -55.15 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -37.87 -27.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.3 mmtm -58.16 -48.13 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.51 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -58.23 -11.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 42.6 m-70 -99.04 11.98 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.772 0.238 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 17.4 m-85 -118.25 127.54 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.0 mt -144.68 121.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -69.57 78.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.24 -43.64 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' ALA . 34.6 mt-10 -34.64 -56.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -110.25 -48.93 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.6 51.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -110.59 137.38 48.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.14 132.32 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -129.22 173.71 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -122.33 -40.58 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.0 mt -97.09 114.91 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 23.0 tpt180 -39.3 -38.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.3 t -67.64 -47.76 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -46.05 -40.37 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.25 -52.85 23.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 26' ' ' SER . 71.3 mt -43.4 -50.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -61.03 -46.63 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 33' ' ' LYS . 23.9 t60 -52.48 -46.92 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -44.42 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' HIS . 17.9 mmtp -48.51 -51.94 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.4 pt -54.72 -19.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.62 20.27 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.817 0.257 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.641 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.4 m-85 -142.89 124.08 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.829 HG23 ' O ' ' A' ' 20' ' ' LYS . 81.6 mt -138.11 118.11 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.58 132.57 45.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.39 -21.56 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.522 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -61.17 -40.88 95.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -120.23 -48.1 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.85 35.41 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.829 ' O ' HG23 ' A' ' 14' ' ' ILE . 36.7 tttm -92.35 166.91 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.74 150.83 38.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' HD13 ' A' ' 28' ' ' LEU . 78.3 m-85 -144.38 168.07 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.1 m -113.64 -43.62 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.2 mt -102.57 133.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.94 -46.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 23.0 t -62.71 -36.4 82.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -58.95 -34.06 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' A' ' 13' ' ' TYR . 8.2 tp -89.0 -37.94 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 26' ' ' SER . 20.3 mt -60.61 -32.97 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -80.13 -13.61 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.539 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.6 t60 -93.99 -59.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.0 mt-30 -38.1 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.6 ptmt -56.61 -47.7 79.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 31' ' ' HIS . 13.2 pt -41.25 -27.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 97.5 m-70 -84.56 -37.95 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 61.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.766 0.236 . . . . 0.0 112.292 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -130.96 129.06 41.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mm -124.87 131.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' ALA . 45.5 t -79.25 77.21 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.21 -48.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 7.1 mm-40 -34.48 -59.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -108.09 -49.23 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -92.72 164.07 13.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.74 138.6 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -134.8 135.53 41.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -78.11 -39.13 42.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 26' ' ' SER . 59.1 mt -97.55 119.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -46.39 -34.38 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 24' ' ' ILE . 2.8 m -74.43 -46.9 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -46.64 -30.62 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -79.21 -30.07 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 28.3 mm -62.29 -45.44 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -66.64 -28.37 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -63.16 -47.45 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -44.11 -22.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mmtt -50.76 -49.73 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -62.23 -22.29 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 85.9 m-70 -85.86 -31.73 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.808 0.253 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.64 ' C ' HD12 ' A' ' 14' ' ' ILE . 17.4 m-85 -130.84 132.62 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 13' ' ' TYR . 4.7 mp -143.71 109.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 22' ' ' PHE . 45.1 t -56.23 112.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.57 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.01 -45.25 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.41 47.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 ttpt -115.25 155.42 27.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.51 149.57 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 15' ' ' CYS . 3.3 m-85 -139.83 158.39 44.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -100.68 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.422 HD12 ' ND2' ' A' ' 27' ' ' ASN . 14.9 mt -86.85 122.39 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -44.45 -36.53 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 24' ' ' ILE . 3.7 t -72.44 -56.63 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.807 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 24' ' ' ILE . 6.2 m-20 -38.22 -34.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 22' ' ' PHE . 25.6 tp -73.85 -47.79 35.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' SER . 63.9 mt -57.82 -49.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -28.01 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' LYS . 7.3 t60 -65.87 -48.84 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -43.59 -22.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 31' ' ' HIS . 46.5 mtpt -51.38 -40.92 60.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 pt -56.14 -21.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 27.1 m-70 -84.55 -37.88 20.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.7 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.756 0.232 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' C ' HG13 ' A' ' 14' ' ' ILE . 15.2 m-85 -129.47 143.72 50.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 13' ' ' TYR . 30.4 mt -142.11 131.55 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.17 80.42 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.87 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.21 -57.07 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -106.16 -48.41 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.1 53.03 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.427 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -117.94 145.93 44.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.77 121.4 40.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.454 ' CD2' HD12 ' A' ' 28' ' ' LEU . 96.7 m-85 -119.72 141.27 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -85.98 -43.22 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.5 mm -93.94 124.07 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' SER . 12.8 ptm180 -45.08 -48.78 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 25' ' ' ARG . 6.6 t -58.51 -49.17 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -46.78 -25.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 22' ' ' PHE . 9.0 tp -84.54 -41.26 16.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 26' ' ' SER . 32.2 mt -66.08 -47.46 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -56.94 -26.51 59.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.752 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.9 t60 -93.86 -34.95 12.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -56.83 -27.41 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.577 ' O ' HG22 ' A' ' 36' ' ' THR . 11.8 ptpt -75.33 -12.43 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -70.87 -17.3 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -83.08 -29.11 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 33' ' ' LYS . 7.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.768 0.237 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 32.3 m-85 -125.17 117.62 24.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mt -125.54 135.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.8 t -78.47 109.56 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.59 -56.05 13.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -107.24 -46.12 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.18 20.73 4.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.03 140.25 40.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 118.96 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -122.28 144.45 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.604 HG23 HG13 ' A' ' 24' ' ' ILE . 11.7 t -98.46 -37.16 9.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.604 HG13 HG23 ' A' ' 23' ' ' THR . 23.2 mt -89.15 108.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ptm180 -38.28 -38.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.3 m -68.17 -48.3 65.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -46.78 -33.45 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -78.35 -37.39 44.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 26' ' ' SER . 44.5 mt -63.62 -55.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -26.84 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' LYS . 71.6 t60 -70.99 -47.99 55.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -38.82 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mtmt -57.01 -50.16 73.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -63.33 -19.24 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -88.46 -28.46 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.761 0.234 . . . . 0.0 112.338 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.734 ' C ' HD12 ' A' ' 14' ' ' ILE . 89.0 m-85 -157.78 137.3 12.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.5 mp -145.9 113.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 t -46.94 106.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.96 41.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -130.38 -36.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -127.97 -44.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.11 47.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.94 ' O ' HG23 ' A' ' 14' ' ' ILE . 8.6 mmtp -103.19 -175.15 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.33 138.13 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -140.87 154.47 46.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.2 m -85.19 -56.97 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.82 154.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -65.9 -40.1 91.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -67.97 -53.48 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -39.01 -31.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -82.74 -48.95 10.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -47.87 -39.56 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 41.7 tttt -67.01 -41.47 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 16.1 t60 -60.66 -52.53 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -41.22 -24.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 3.3 mmmm -48.43 -53.29 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.8 pt -46.38 -23.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -90.1 -36.11 15.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.798 0.249 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 88.8 m-85 -132.06 141.67 49.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 13' ' ' TYR . 69.8 mt -146.97 121.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.25 127.64 33.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.07 25.39 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 14.2 mp0 -117.91 -32.61 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -128.57 -41.43 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 40.79 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -98.15 145.33 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.81 137.53 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.11 157.92 45.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.759 HG23 HG13 ' A' ' 24' ' ' ILE . 14.1 t -104.37 -33.55 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.759 HG13 HG23 ' A' ' 23' ' ' THR . 28.2 mt -102.61 146.29 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' NH1' HD11 ' A' ' 29' ' ' ILE . 55.1 ttp85 -66.38 -32.66 74.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . 60.7 p -75.95 -51.24 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -41.81 -29.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -83.55 -43.07 16.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.425 HD11 ' NH1' ' A' ' 25' ' ' ARG . 87.6 mt -55.46 -39.58 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -65.95 -37.83 87.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -57.92 -48.02 81.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -39.09 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.3 mtpt -56.34 -54.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -60.29 -16.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -90.34 12.62 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.894 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.774 0.239 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' C ' HD12 ' A' ' 14' ' ' ILE . 97.3 m-85 -127.32 127.81 44.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.9 mp -132.24 128.65 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 28' ' ' LEU . 12.6 t -58.78 111.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.15 28.12 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -117.82 -45.48 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.73 -47.59 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.48 70.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.792 ' O ' HG23 ' A' ' 14' ' ' ILE . 16.0 mtpp -128.25 -174.86 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -143.38 148.91 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 69.5 m-85 -150.58 162.56 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.47 -52.23 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -91.36 149.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -64.11 -42.09 97.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.578 ' HA ' HD12 ' A' ' 29' ' ' ILE . 78.9 p -66.24 -38.51 88.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -53.85 -38.88 65.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 15' ' ' CYS . 15.0 tp -74.33 -46.54 40.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 26' ' ' SER . 18.9 mt -56.92 -39.72 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -65.28 -31.87 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HD12 ' A' ' 34' ' ' ILE . 8.3 t60 -71.14 -46.12 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -47.08 -20.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.731 ' O ' HG22 ' A' ' 36' ' ' THR . 35.0 mttm -54.58 -34.77 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.71 -13.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.598 ' N ' HD13 ' A' ' 34' ' ' ILE . 30.5 m-70 -91.36 -34.97 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 33' ' ' LYS . 5.1 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.805 0.252 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CE2' ' O ' ' A' ' 23' ' ' THR . 60.2 m-85 -157.63 118.4 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.0 mm -133.72 106.7 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HB2' HD11 ' A' ' 28' ' ' LEU . 3.4 t -41.28 120.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.35 40.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 22.3 mm-40 -133.56 -33.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.5 p -131.79 -41.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.29 26.19 1.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 154.28 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.311 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.29 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -142.71 160.15 40.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 88.2 m -89.67 -51.73 5.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 mt -91.79 151.55 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 21.3 ttm105 -65.41 -46.51 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -61.83 -53.24 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -44.41 -33.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 15' ' ' CYS . 18.4 tp -75.0 -47.02 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -53.97 -41.09 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.64 -21.26 65.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.6 t60 -89.57 -57.96 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -40.14 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.5 mmmt -53.61 -47.07 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.7 pt -45.31 -21.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 52.6 m-70 -89.03 -34.21 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 33' ' ' LYS . 54.2 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.791 0.246 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' HB3' HD22 ' A' ' 28' ' ' LEU . 31.0 m-85 -141.13 135.89 31.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 20' ' ' LYS . 86.4 mt -141.4 129.83 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.77 82.92 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.56 -40.53 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.99 -62.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -101.43 -48.27 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.46 46.23 0.33 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 14' ' ' ILE . 34.2 mttt -104.77 167.39 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 125.76 42.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -119.13 170.44 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -106.64 -53.81 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 mt -94.98 119.48 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ILE . 21.2 ttt85 -34.51 -46.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -62.17 -50.46 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . 53.8 t-20 -48.04 -21.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.5 tp -88.47 -38.43 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.96 -49.11 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.53 -16.64 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 27.0 t60 -93.95 -62.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -40.78 -26.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 pttp -52.58 -44.77 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 35' ' ' HIS . 18.2 pt -46.95 -31.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.4 m-70 -79.14 -32.97 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.768 0.237 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.1 m-85 -151.67 114.96 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 13' ' ' TYR . 19.8 mt -140.24 142.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 2.1 t -79.58 159.61 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -107.84 -38.6 5.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.66 -56.99 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -109.43 -42.92 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.09 33.62 1.96 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -77.98 136.62 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.33 126.98 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD2' HD13 ' A' ' 28' ' ' LEU . 70.3 m-85 -127.56 167.73 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.8 m -110.37 -41.08 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.07 118.88 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 11.7 ttp-105 -42.03 -41.19 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 m -65.72 -48.01 73.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -50.92 -22.63 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 22' ' ' PHE . 40.4 tp -90.35 -24.08 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mt -60.36 -40.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -76.36 -35.5 58.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -52.2 -38.63 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -52.03 -16.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -53.18 -43.18 66.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -65.97 -4.47 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -109.9 21.99 16.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.843 0.268 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 72.6 m-85 -148.5 127.31 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 13' ' ' TYR . 21.3 mt -141.25 127.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -53.49 130.68 36.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.32 38.95 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.3 mm-40 -134.57 -36.5 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.79 -46.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 36.44 0.77 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -99.55 138.16 37.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.19 151.19 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -140.88 170.44 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 m -106.17 -45.67 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.4 mt -106.42 111.79 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 ptt180 -37.39 -39.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 3.2 m -60.14 -54.61 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -46.0 -32.76 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 tp -77.43 -33.58 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -47.33 -43.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.8 tttp -65.77 -47.24 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.8 t60 -44.73 -55.47 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -39.37 -30.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 23.8 mmtp -46.07 -50.35 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.489 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.89 -18.6 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 30.0 m-70 -94.31 21.46 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.9 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.786 0.244 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 21.3 m-85 -99.83 109.48 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 98.1 mt -130.08 117.86 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -47.93 133.33 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.25 27.48 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp0 -122.56 -41.12 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -117.71 -49.63 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.88 31.41 0.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -94.62 162.12 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -108.68 164.25 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 63.0 m-85 -155.41 150.27 26.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.7 m -96.73 -36.5 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 26' ' ' SER . 32.7 mm -113.24 136.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.53 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.01 -47.71 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.456 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.2 t -57.04 -52.3 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -45.44 -35.85 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.8 tp -84.07 -45.7 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 26' ' ' SER . 17.3 mt -56.66 -29.22 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -83.27 -26.08 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -72.94 -34.44 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.43 -13.96 1.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -57.87 -53.23 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -57.2 -14.72 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 60.3 m-70 -92.62 -19.08 22.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.88 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.842 0.268 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 19.8 m-85 -122.16 126.59 48.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.1 mm -137.26 130.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.5 t -81.25 81.75 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.64 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -39.72 -55.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.01 -46.32 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.13 37.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -83.75 -178.62 7.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.31 138.99 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -144.52 162.33 36.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.0 m -97.14 -50.69 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.5 HD12 HD21 ' A' ' 27' ' ' ASN . 9.8 mt -87.26 147.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 23.1 ttt180 -62.5 -47.66 82.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.711 ' HA ' HD13 ' A' ' 29' ' ' ILE . 59.4 p -61.74 -40.93 96.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.5 HD21 HD12 ' A' ' 24' ' ' ILE . 1.7 m-80 -46.09 -47.67 17.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ILE . 16.3 tp -55.41 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 26' ' ' SER . 3.9 mp -32.93 -54.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -44.96 -46.06 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 69.6 t60 -63.2 -41.02 99.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -50.17 -18.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -54.39 -48.28 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -65.8 -13.7 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -98.17 -27.44 14.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.582 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.786 0.244 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 20.8 m-85 -99.8 135.92 40.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.76 HG23 ' O ' ' A' ' 20' ' ' LYS . 78.8 mt -144.75 122.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.13 104.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -66.1 -41.16 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 10.4 mt-10 -35.42 -55.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.4 -49.71 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.59 45.74 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 14' ' ' ILE . 9.7 tptp -100.82 159.51 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.18 146.81 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 87.8 m-85 -149.56 159.26 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.3 m -95.84 -54.38 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.484 HD12 ' OD1' ' A' ' 27' ' ' ASN . 17.6 mt -90.09 124.66 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -41.43 -35.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -68.38 -53.42 24.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' OD1' HD12 ' A' ' 24' ' ' ILE . 4.7 m120 -43.15 -32.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 32' ' ' GLN . 9.6 tp -71.95 -49.91 33.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mm -44.42 -53.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 7.1 tptm -47.88 -60.97 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.727 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.1 t60 -52.46 -49.12 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 16.2 mt-30 -53.02 -15.93 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 5.4 pttp -68.81 -9.55 51.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -79.55 -23.78 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 34' ' ' ILE . 89.7 m-70 -87.49 16.55 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.818 0.257 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 59.5 m-85 -90.0 136.18 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 13' ' ' TYR . 44.5 mm -141.0 125.08 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.49 75.78 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.11 -44.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 18.3 mm-40 -36.03 -58.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.16 -46.11 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.47 39.11 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.437 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -99.42 165.84 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 138.53 54.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.5 m-85 -133.16 151.95 51.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.7 m -94.26 -38.98 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -109.38 130.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -47.89 -39.38 18.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.534 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.7 m -63.75 -44.72 92.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -56.93 -30.69 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.406 HD13 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -80.51 -27.36 37.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 26' ' ' SER . 66.0 mt -69.69 -46.45 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -59.45 -40.38 86.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 45.5 t60 -53.31 -48.15 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -37.14 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.6 mmmt -56.95 -50.51 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -57.65 -19.71 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -85.85 -14.36 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.841 0.267 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 61.8 m-85 -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 142.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -82.54 103.73 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.79 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 70.8 mm-40 -48.77 -66.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.34 -48.93 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.93 61.8 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -118.67 132.78 56.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.48 138.35 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 28' ' ' LEU . 48.6 m-85 -130.85 157.07 43.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 p -82.89 -46.94 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.34 140.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ttm180 -56.47 -49.99 73.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -57.45 -56.15 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.38 -36.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -68.96 -56.2 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 mm -34.15 -34.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 ttpm? -69.08 -48.69 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' LEU . 13.2 t60 -51.86 -38.1 54.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 2.0 mp0 -46.06 -20.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 31' ' ' HIS . 67.6 mttt -56.2 -37.49 69.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 4.7 pt -62.16 -16.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.8 m-70 -100.98 -10.58 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.832 0.263 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' C ' HD12 ' A' ' 14' ' ' ILE . 88.1 m-85 -133.97 137.02 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 13' ' ' TYR . 5.4 mp -144.76 117.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.86 118.71 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.42 35.9 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -127.14 -45.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 p -118.14 -46.63 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.18 -13.03 3.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 7.8 ttmm -45.15 159.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.35 126.89 25.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -123.47 162.16 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -45.73 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -89.59 148.54 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -61.9 -44.19 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -66.81 -40.93 88.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -48.06 -37.15 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.5 -41.03 33.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.5 mm -49.97 -46.41 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -45.1 94.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.705 ' CE1' HD11 ' A' ' 34' ' ' ILE . 81.0 t60 -50.19 -46.58 54.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -42.51 -23.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' HIS . 51.8 mmtt -52.73 -53.7 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.705 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.3 pt -61.02 -17.88 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -91.97 -32.82 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -132.35 150.07 52.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -64.91 123.42 19.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.01 -93.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -156.23 143.97 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -59.09 166.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.36 -54.54 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 m -76.26 91.51 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.02 97.86 2.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' LYS . 23.8 tt0 -143.95 154.4 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.823 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 28.4 mmtp -36.46 149.56 0.15 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.78 -11.05 30.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 24.4 m-85 -147.28 133.09 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.4 mp -141.94 121.42 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 4.8 t -59.69 159.93 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -112.71 -31.14 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.2 mm-40 -52.19 -41.59 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.15 -44.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.99 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.58 ' O ' HG23 ' A' ' 14' ' ' ILE . 40.1 mttp -97.52 173.24 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.823 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -125.92 151.71 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.25 170.09 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -113.12 -44.77 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.665 HD12 ' OD1' ' A' ' 27' ' ' ASN . 7.2 mt -92.46 120.45 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -40.55 -41.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.643 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.8 t -68.41 -52.18 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.665 ' OD1' HD12 ' A' ' 24' ' ' ILE . 3.1 m120 -43.26 -34.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.0 tp -74.13 -48.1 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 26' ' ' SER . 52.3 mt -49.21 -52.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -47.65 -46.74 29.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' LYS . 15.3 t60 -56.72 -55.15 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -37.87 -27.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.3 mmtm -58.16 -48.13 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.51 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -58.23 -11.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 42.6 m-70 -99.04 11.98 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 m -121.54 81.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -53.16 156.47 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 39' ' ' LYS . 9.5 tp-100 -134.1 83.14 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -34.61 143.72 0.21 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.5 14.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -99.39 93.5 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.15 -158.59 23.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 138.15 37.0 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -45.37 -61.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -126.43 123.51 38.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.457 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -107.66 151.14 26.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.814 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -133.57 148.41 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.96 -176.51 20.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -165.31 146.31 7.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -139.9 143.22 36.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.86 165.24 33.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.0 m -156.04 135.22 12.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 171.47 15.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -112.51 100.56 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.659 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 25.0 mtmm -124.48 79.51 61.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -0.59 7.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 17.4 m-85 -118.25 127.54 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.0 mt -144.68 121.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -69.57 78.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.24 -43.64 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' ALA . 34.6 mt-10 -34.64 -56.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -110.25 -48.93 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.6 51.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -110.59 137.38 48.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.659 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -93.14 132.32 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -129.22 173.71 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -122.33 -40.58 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.0 mt -97.09 114.91 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 23.0 tpt180 -39.3 -38.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.3 t -67.64 -47.76 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -46.05 -40.37 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.25 -52.85 23.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 26' ' ' SER . 71.3 mt -43.4 -50.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -61.03 -46.63 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 33' ' ' LYS . 23.9 t60 -52.48 -46.92 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -44.42 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' HIS . 17.9 mmtp -48.51 -51.94 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.4 pt -54.72 -19.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.62 20.27 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -121.29 44.81 2.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -107.68 147.21 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -45.92 154.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 24.7 ttmt 53.45 54.81 12.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.567 0.699 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.76 162.8 40.67 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.377 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -65.92 174.73 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.81 151.05 19.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 108.04 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.38 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.9 m -81.35 157.7 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 m -139.39 152.6 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.204 -0.776 . . . . 0.0 112.502 -179.957 . . . . . . . . 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 -0.311 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -107.86 89.64 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -156.58 131.96 9.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.52 166.82 12.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -85.09 116.53 23.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -145.58 127.36 15.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -76.99 -126.07 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 34.4 p 36.11 41.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.72 -41.76 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.01 87.83 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.878 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -83.61 149.14 56.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -15.44 36.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.641 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.4 m-85 -142.89 124.08 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.829 HG23 ' O ' ' A' ' 20' ' ' LYS . 81.6 mt -138.11 118.11 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.4 t -54.58 132.57 45.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.39 -21.56 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.522 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 20.0 mt-10 -61.17 -40.88 95.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -120.23 -48.1 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.85 35.41 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.829 ' O ' HG23 ' A' ' 14' ' ' ILE . 36.7 tttm -92.35 166.91 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.878 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -117.74 150.83 38.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' HD13 ' A' ' 28' ' ' LEU . 78.3 m-85 -144.38 168.07 20.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.1 m -113.64 -43.62 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.2 mt -102.57 133.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.94 -46.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 23.0 t -62.71 -36.4 82.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -58.95 -34.06 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' A' ' 13' ' ' TYR . 8.2 tp -89.0 -37.94 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 26' ' ' SER . 20.3 mt -60.61 -32.97 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -80.13 -13.61 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.539 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.6 t60 -93.99 -59.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.0 mt-30 -38.1 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.6 ptmt -56.61 -47.7 79.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 31' ' ' HIS . 13.2 pt -41.25 -27.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 97.5 m-70 -84.56 -37.95 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 61.9 m -50.24 148.16 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt 59.63 47.01 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -96.51 -55.47 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.961 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 44.9 tttt -67.42 143.09 96.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.578 0.704 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.4 Cg_endo -69.78 106.34 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -110.6 174.68 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.43 -158.85 33.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.38 60.48 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -127.19 177.6 6.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m -139.08 165.02 28.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.46 -179.945 . . . . . . . . 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 1.451 -0.345 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -92.91 122.33 35.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -104.91 123.9 48.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.11 -72.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -43.32 -44.11 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.395 . . . . 0.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -113.15 121.43 44.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.25 114.04 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -52.74 -19.18 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.88 110.02 0.74 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -151.11 114.68 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER 49.41 52.19 12.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 2.74 3.26 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.735 2.29 . . . . 0.0 112.292 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -130.96 129.06 41.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mm -124.87 131.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' ALA . 45.5 t -79.25 77.21 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.21 -48.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 7.1 mm-40 -34.48 -59.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -108.09 -49.23 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -92.72 164.07 13.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 11' ' ' LYS . . . -117.74 138.6 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -134.8 135.53 41.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -78.11 -39.13 42.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 26' ' ' SER . 59.1 mt -97.55 119.29 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -46.39 -34.38 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 24' ' ' ILE . 2.8 m -74.43 -46.9 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -46.64 -30.62 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -79.21 -30.07 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 28.3 mm -62.29 -45.44 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -66.64 -28.37 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -63.16 -47.45 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -44.11 -22.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mmtt -50.76 -49.73 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -62.23 -22.29 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 85.9 m-70 -85.86 -31.73 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.8 p -94.15 155.3 17.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -115.55 175.49 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -93.89 -47.86 6.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.89 144.0 67.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 176.41 6.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.383 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.0 t -99.29 -44.63 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.24 -158.96 33.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.444 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.9 22.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -60.86 169.85 1.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.5 t -98.53 -50.46 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.493 179.977 . . . . . . . . 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 1.45 -0.378 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -130.81 172.86 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 p -113.94 166.65 11.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.15 163.78 9.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -89.99 121.99 32.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -88.46 45.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.55 119.22 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 t -50.34 139.98 14.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 111.179 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.57 63.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -76.17 157.0 33.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.571 ' O ' HD11 ' A' ' 14' ' ' ILE . 1.6 mppt? -72.64 143.56 85.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.72 -5.93 17.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.374 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.64 ' C ' HD12 ' A' ' 14' ' ' ILE . 17.4 m-85 -130.84 132.62 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 13' ' ' TYR . 4.7 mp -143.71 109.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 22' ' ' PHE . 45.1 t -56.23 112.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.57 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.01 -45.25 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.41 47.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 ttpt -115.25 155.42 27.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.51 149.57 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 15' ' ' CYS . 3.3 m-85 -139.83 158.39 44.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -100.68 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.422 HD12 ' ND2' ' A' ' 27' ' ' ASN . 14.9 mt -86.85 122.39 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -44.45 -36.53 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 24' ' ' ILE . 3.7 t -72.44 -56.63 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.807 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 24' ' ' ILE . 6.2 m-20 -38.22 -34.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 22' ' ' PHE . 25.6 tp -73.85 -47.79 35.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' SER . 63.9 mt -57.82 -49.97 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -28.01 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' LYS . 7.3 t60 -65.87 -48.84 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -43.59 -22.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 31' ' ' HIS . 46.5 mtpt -51.38 -40.92 60.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 pt -56.14 -21.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 27.1 m-70 -84.55 -37.88 20.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.7 p -56.4 -31.79 64.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -107.01 112.97 26.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -50.96 139.69 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 62.45 20.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.521 0.677 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.63 28.48 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -174.67 111.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.15 85.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 135.64 30.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -72.7 173.67 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -50.19 -46.42 54.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.516 -179.997 . . . . . . . . 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 1.45 -0.367 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 3' ' ' SER . 22.6 t 48.62 41.98 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.352 . . . . 0.0 110.896 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.5 m -36.17 -48.25 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.83 99.41 1.25 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 p -129.56 91.81 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -105.38 89.01 2.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.81 132.9 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.0 m -54.15 107.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 111.182 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.35 138.16 6.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 17.1 tp10 -104.82 155.11 19.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -126.49 76.31 73.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.83 19.54 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' C ' HG13 ' A' ' 14' ' ' ILE . 15.2 m-85 -129.47 143.72 50.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 13' ' ' TYR . 30.4 mt -142.11 131.55 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.17 80.42 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.87 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.21 -57.07 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -106.16 -48.41 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.1 53.03 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.427 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -117.94 145.93 44.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.77 121.4 40.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.454 ' CD2' HD12 ' A' ' 28' ' ' LEU . 96.7 m-85 -119.72 141.27 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -85.98 -43.22 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.5 mm -93.94 124.07 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' SER . 12.8 ptm180 -45.08 -48.78 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 25' ' ' ARG . 6.6 t -58.51 -49.17 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -46.78 -25.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 22' ' ' PHE . 9.0 tp -84.54 -41.26 16.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 26' ' ' SER . 32.2 mt -66.08 -47.46 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -56.94 -26.51 59.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.752 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.9 t60 -93.86 -34.95 12.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -56.83 -27.41 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.577 ' O ' HG22 ' A' ' 36' ' ' THR . 11.8 ptpt -75.33 -12.43 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -70.87 -17.3 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -83.08 -29.11 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 33' ' ' LYS . 7.5 t -38.67 150.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -70.15 105.15 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 39' ' ' LYS . 30.8 tt0 -139.26 119.52 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 23.8 pttt 34.42 52.65 1.31 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.708 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.75 -177.48 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -111.75 168.57 9.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.76 -95.0 1.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.29 27.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.6 p -157.95 166.25 33.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.6 t -51.47 105.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.443 179.964 . . . . . . . . 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 -0.309 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -172.25 132.09 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m 38.95 43.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.823 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.66 -106.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -86.97 118.07 26.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -76.43 -57.78 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.94 154.89 19.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -123.13 -39.82 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 111.154 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.63 -178.53 39.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -128.3 46.84 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -79.83 145.0 61.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.79 -23.67 30.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 32.3 m-85 -125.17 117.62 24.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mt -125.54 135.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.8 t -78.47 109.56 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.27 75.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.59 -56.05 13.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -107.24 -46.12 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.18 20.73 4.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.03 140.25 40.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 118.96 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -122.28 144.45 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.604 HG23 HG13 ' A' ' 24' ' ' ILE . 11.7 t -98.46 -37.16 9.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.604 HG13 HG23 ' A' ' 23' ' ' THR . 23.2 mt -89.15 108.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ptm180 -38.28 -38.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.3 m -68.17 -48.3 65.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -46.78 -33.45 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -78.35 -37.39 44.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 26' ' ' SER . 44.5 mt -63.62 -55.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -26.84 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' LYS . 71.6 t60 -70.99 -47.99 55.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -38.82 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.4 mtmt -57.01 -50.16 73.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -63.33 -19.24 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -88.46 -28.46 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -86.32 42.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' LYS . 40.8 mttm -156.23 106.09 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' LYS . 35.9 mt-30 -36.48 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -73.11 151.63 90.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -45.26 1.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.0 p -119.2 133.47 55.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.92 146.45 18.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 129.92 18.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' SER . 33.2 p -75.33 -54.22 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' SER . 52.7 p -38.14 125.33 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.477 -179.966 . . . . . . . . 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 -0.338 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -137.28 175.36 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -169.24 139.49 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.2 70.23 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 p -129.76 155.46 45.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.898 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -59.29 -45.0 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.31 142.72 4.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.4 p -116.39 111.78 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.83 -175.98 22.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.47 103.52 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.663 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.89 148.94 39.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.855 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.78 -4.3 13.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.734 ' C ' HD12 ' A' ' 14' ' ' ILE . 89.0 m-85 -157.78 137.3 12.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.5 mp -145.9 113.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 t -46.94 106.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.96 41.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -130.38 -36.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -127.97 -44.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.11 47.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.94 ' O ' HG23 ' A' ' 14' ' ' ILE . 8.6 mmtp -103.19 -175.15 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.663 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -146.33 138.13 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -140.87 154.47 46.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.2 m -85.19 -56.97 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.82 154.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -65.9 -40.1 91.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -67.97 -53.48 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -39.01 -31.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -82.74 -48.95 10.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -47.87 -39.56 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 41.7 tttt -67.01 -41.47 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 16.1 t60 -60.66 -52.53 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -41.22 -24.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 3.3 mmmm -48.43 -53.29 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.8 pt -46.38 -23.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -90.1 -36.11 15.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p -88.26 41.63 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 144.42 50.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -84.9 120.95 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.66 148.39 40.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 102.34 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 m -54.15 135.06 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.76 143.85 3.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.07 9.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.7 t -131.86 44.74 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -68.72 -59.0 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.482 -179.98 . . . . . . . . 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 -0.34 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -124.94 96.41 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -86.84 164.78 16.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.94 -43.24 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -162.3 131.73 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -122.06 140.95 51.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.96 66.07 0.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.2 p -74.61 -45.02 47.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.35 144.21 7.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.69 140.92 35.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 2.8 mptp? -130.72 152.74 81.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.88 29.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 88.8 m-85 -132.06 141.67 49.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 13' ' ' TYR . 69.8 mt -146.97 121.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.25 127.64 33.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.07 25.39 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 14.2 mp0 -117.91 -32.61 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -128.57 -41.43 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 40.79 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -98.15 145.33 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -98.81 137.53 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.11 157.92 45.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.759 HG23 HG13 ' A' ' 24' ' ' ILE . 14.1 t -104.37 -33.55 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.759 HG13 HG23 ' A' ' 23' ' ' THR . 28.2 mt -102.61 146.29 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' NH1' HD11 ' A' ' 29' ' ' ILE . 55.1 ttp85 -66.38 -32.66 74.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . 60.7 p -75.95 -51.24 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -41.81 -29.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -83.55 -43.07 16.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.425 HD11 ' NH1' ' A' ' 25' ' ' ARG . 87.6 mt -55.46 -39.58 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -65.95 -37.83 87.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 76.3 t60 -57.92 -48.02 81.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -39.09 -26.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.3 mtpt -56.34 -54.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -60.29 -16.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -90.34 12.62 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 m -111.45 -45.26 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -93.05 114.67 27.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -115.97 40.0 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.47 137.2 19.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 97.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.227 . . . . 0.0 112.4 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 m -91.21 -46.91 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.55 -74.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 114.98 3.87 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.9 p -94.57 -43.24 8.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.3 p -108.68 -48.17 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.076 -0.847 . . . . 0.0 112.488 179.997 . . . . . . . . 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 -0.337 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -102.87 95.46 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -119.92 -60.6 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.43 171.18 39.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -133.11 -43.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -103.69 97.28 7.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.98 -65.91 0.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.8 p -107.99 111.87 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.02 -142.67 3.5 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 10.2 pt-20 -111.04 38.6 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 9.0 mptt -114.39 61.71 1.16 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.76 2.35 3.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' C ' HD12 ' A' ' 14' ' ' ILE . 97.3 m-85 -127.32 127.81 44.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.9 mp -132.24 128.65 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 28' ' ' LEU . 12.6 t -58.78 111.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.15 28.12 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -117.82 -45.48 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.73 -47.59 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.48 70.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.792 ' O ' HG23 ' A' ' 14' ' ' ILE . 16.0 mtpp -128.25 -174.86 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -143.38 148.91 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 69.5 m-85 -150.58 162.56 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.47 -52.23 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -91.36 149.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -64.11 -42.09 97.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.578 ' HA ' HD12 ' A' ' 29' ' ' ILE . 78.9 p -66.24 -38.51 88.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -53.85 -38.88 65.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 15' ' ' CYS . 15.0 tp -74.33 -46.54 40.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 26' ' ' SER . 18.9 mt -56.92 -39.72 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -65.28 -31.87 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HD12 ' A' ' 34' ' ' ILE . 8.3 t60 -71.14 -46.12 62.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -47.08 -20.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.731 ' O ' HG22 ' A' ' 36' ' ' THR . 35.0 mttm -54.58 -34.77 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.71 -13.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.598 ' N ' HD13 ' A' ' 34' ' ' ILE . 30.5 m-70 -91.36 -34.97 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 33' ' ' LYS . 5.1 t -40.92 138.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -119.19 133.21 55.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -142.85 169.54 17.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.54 139.08 49.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 92.22 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 p -126.6 -37.56 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.84 -158.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.75 1.62 4.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' PRO . 38.4 t -34.78 122.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 t 66.18 38.26 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.464 -179.98 . . . . . . . . 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 1.45 -0.37 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -146.2 135.3 22.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -152.49 169.75 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.813 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.0 39.76 3.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -115.99 153.74 31.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -60.54 94.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.82 71.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -158.25 120.31 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.122 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.82 -55.8 0.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 63.32 42.59 6.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.601 ' HB3' HD11 ' A' ' 14' ' ' ILE . 34.9 tptt -62.74 136.06 96.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD2' ' CD ' ' A' ' 11' ' ' LYS . 53.4 Cg_endo -69.78 -3.37 11.89 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CE2' ' O ' ' A' ' 23' ' ' THR . 60.2 m-85 -157.63 118.4 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 11' ' ' LYS . 37.0 mm -133.72 106.7 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HB2' HD11 ' A' ' 28' ' ' LEU . 3.4 t -41.28 120.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.35 40.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 22.3 mm-40 -133.56 -33.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.5 p -131.79 -41.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.29 26.19 1.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 154.28 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.311 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.29 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -142.71 160.15 40.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 88.2 m -89.67 -51.73 5.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 mt -91.79 151.55 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 21.3 ttm105 -65.41 -46.51 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -61.83 -53.24 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -44.41 -33.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 15' ' ' CYS . 18.4 tp -75.0 -47.02 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -53.97 -41.09 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.64 -21.26 65.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.6 t60 -89.57 -57.96 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -40.14 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.5 mmmt -53.61 -47.07 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.7 pt -45.31 -21.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 52.6 m-70 -89.03 -34.21 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' LYS . 54.2 p -75.99 -37.1 58.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' THR . 44.0 mmtt -34.62 -55.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -85.0 74.77 10.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 28.3 tttp -137.97 139.6 26.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.2 Cg_endo -69.72 157.4 60.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.733 2.289 . . . . 0.0 112.361 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 m -96.36 121.72 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.787 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.85 169.83 17.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.1 Cg_endo -69.83 -5.46 16.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 0.0 112.315 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' PRO . 7.8 t -36.81 128.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.8 m -120.93 42.32 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.46 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' GLY . 57.2 p -37.92 -43.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m 40.06 42.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.16 -140.86 31.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -120.5 100.8 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.939 0.4 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -39.78 156.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.32 68.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.2 m -115.91 107.2 14.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.83 179.54 51.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -140.54 123.68 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.963 0.411 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 147.12 55.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.28 18.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.316 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' HB3' HD22 ' A' ' 28' ' ' LEU . 31.0 m-85 -141.13 135.89 31.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 20' ' ' LYS . 86.4 mt -141.4 129.83 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.77 82.92 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.56 -40.53 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.99 -62.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -101.43 -48.27 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.46 46.23 0.33 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 14' ' ' ILE . 34.2 mttt -104.77 167.39 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 125.76 42.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -119.13 170.44 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -106.64 -53.81 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 mt -94.98 119.48 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ILE . 21.2 ttt85 -34.51 -46.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -62.17 -50.46 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . 53.8 t-20 -48.04 -21.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.5 tp -88.47 -38.43 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.96 -49.11 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.53 -16.64 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 27.0 t60 -93.95 -62.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -40.78 -26.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 pttp -52.58 -44.77 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 35' ' ' HIS . 18.2 pt -46.95 -31.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.4 m-70 -79.14 -32.97 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 m -71.74 -30.63 65.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -84.54 43.36 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -106.97 -43.91 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -89.15 140.85 28.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.513 0.673 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -51.04 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -134.18 50.68 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.6 179.9 23.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -176.61 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.339 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -70.87 -46.95 61.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 p -166.76 155.0 10.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.501 -179.992 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -151.48 113.48 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.82 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 t -172.57 130.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.36 139.32 5.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -149.05 109.85 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 p -60.05 -47.58 85.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -174.86 -105.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLY . 82.3 p -37.1 140.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.155 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.77 -135.03 1.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -63.04 156.7 24.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -129.34 152.05 78.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.682 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.73 -0.72 7.3 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.322 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.1 m-85 -151.67 114.96 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 13' ' ' TYR . 19.8 mt -140.24 142.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 16' ' ' ALA . 2.1 t -79.58 159.61 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . -107.84 -38.6 5.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.66 -56.99 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -109.43 -42.92 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.09 33.62 1.96 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -77.98 136.62 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.33 126.98 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD2' HD13 ' A' ' 28' ' ' LEU . 70.3 m-85 -127.56 167.73 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.8 m -110.37 -41.08 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.07 118.88 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 11.7 ttp-105 -42.03 -41.19 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 m -65.72 -48.01 73.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -50.92 -22.63 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 22' ' ' PHE . 40.4 tp -90.35 -24.08 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mt -60.36 -40.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -76.36 -35.5 58.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -52.2 -38.63 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -52.03 -16.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -53.18 -43.18 66.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -65.97 -4.47 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -109.9 21.99 16.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -161.51 137.2 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -122.16 124.32 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -38.14 150.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -144.64 160.6 47.05 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 2.8 3.18 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.398 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 t -72.39 81.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.15 146.18 7.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.273 . . . . 0.0 112.378 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -98.13 179.35 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.4 p -137.81 126.67 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.452 179.97 . . . . . . . . 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 1.452 -0.28 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -56.48 144.22 32.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -96.17 -49.01 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.35 -155.58 21.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -71.82 139.9 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -83.03 -49.19 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.2 135.34 2.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -61.66 -55.04 34.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.177 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.35 173.7 19.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -125.61 40.6 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.41 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.532 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER 38.21 54.95 4.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.925 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.75 -0.21 6.58 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.359 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 72.6 m-85 -148.5 127.31 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 13' ' ' TYR . 21.3 mt -141.25 127.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -53.49 130.68 36.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.32 38.95 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.3 mm-40 -134.57 -36.5 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.79 -46.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 36.44 0.77 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -99.55 138.16 37.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.532 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -94.19 151.19 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -140.88 170.44 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 m -106.17 -45.67 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.4 mt -106.42 111.79 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 ptt180 -37.39 -39.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 3.2 m -60.14 -54.61 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -46.0 -32.76 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 tp -77.43 -33.58 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -47.33 -43.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.8 tttp -65.77 -47.24 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.8 t60 -44.73 -55.47 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -39.37 -30.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 23.8 mmtp -46.07 -50.35 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.489 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.89 -18.6 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 30.0 m-70 -94.31 21.46 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p -83.94 -35.78 23.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -84.98 94.68 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.19 102.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' NZ ' ' HD2' ' A' ' 40' ' ' PRO . 12.2 tptp -155.12 130.31 5.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' NZ ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.76 92.67 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.287 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.2 m -92.68 -48.96 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.05 67.89 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 104.68 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -163.16 115.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -100.06 147.08 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.471 -179.978 . . . . . . . . 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 -0.351 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -128.75 83.12 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -172.35 172.5 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 156.29 22.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p -90.73 3.46 54.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.912 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -167.73 117.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.32 60.99 4.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -112.33 -54.37 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.03 169.22 30.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -135.77 165.08 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -74.43 133.85 77.04 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.72 -20.3 35.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 21.3 m-85 -99.83 109.48 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 98.1 mt -130.08 117.86 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -47.93 133.33 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.25 27.48 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp0 -122.56 -41.12 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -117.71 -49.63 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.88 31.41 0.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -94.62 162.12 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -108.68 164.25 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 63.0 m-85 -155.41 150.27 26.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.7 m -96.73 -36.5 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 26' ' ' SER . 32.7 mm -113.24 136.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.53 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.01 -47.71 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.456 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.2 t -57.04 -52.3 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -45.44 -35.85 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.8 tp -84.07 -45.7 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 26' ' ' SER . 17.3 mt -56.66 -29.22 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -83.27 -26.08 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -72.94 -34.44 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.43 -13.96 1.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -57.87 -53.23 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -57.2 -14.72 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 60.3 m-70 -92.62 -19.08 22.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -120.18 148.32 43.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mttp 60.57 41.01 16.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -121.5 -14.87 8.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -89.67 138.52 28.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.385 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 m 42.32 41.91 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.67 -83.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.41 25.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.3 t -51.1 -57.74 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.4 p -130.75 74.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.498 -179.961 . . . . . . . . 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 -0.35 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -83.56 42.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -50.37 117.48 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.79 -173.05 28.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 15.3 t -157.27 161.95 39.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -55.25 145.68 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.93 146.38 16.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -146.06 140.67 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.17 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.23 -167.74 23.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -122.79 121.57 36.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -110.82 137.55 20.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -14.51 36.29 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 19.8 m-85 -122.16 126.59 48.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.1 mm -137.26 130.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.5 t -81.25 81.75 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.64 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -39.72 -55.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.01 -46.32 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.13 37.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -83.75 -178.62 7.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.31 138.99 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -144.52 162.33 36.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.0 m -97.14 -50.69 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.5 HD12 HD21 ' A' ' 27' ' ' ASN . 9.8 mt -87.26 147.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 23.1 ttt180 -62.5 -47.66 82.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.711 ' HA ' HD13 ' A' ' 29' ' ' ILE . 59.4 p -61.74 -40.93 96.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.5 HD21 HD12 ' A' ' 24' ' ' ILE . 1.7 m-80 -46.09 -47.67 17.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ILE . 16.3 tp -55.41 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 26' ' ' SER . 3.9 mp -32.93 -54.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -44.96 -46.06 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 69.6 t60 -63.2 -41.02 99.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -50.17 -18.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -54.39 -48.28 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -65.8 -13.7 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -98.17 -27.44 14.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m -92.24 101.78 14.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -155.26 142.75 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -136.68 166.03 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -69.57 137.35 88.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.516 0.674 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -173.37 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 m -55.48 -43.84 75.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.03 -86.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.446 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.71 40.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 p -116.44 140.36 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -130.98 121.69 25.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.493 -179.953 . . . . . . . . 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 -0.343 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -110.85 111.77 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -144.93 146.94 32.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.95 96.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 m -125.25 132.91 52.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.6 t -123.51 88.72 2.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.54 63.54 0.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 8' ' ' THR . 10.2 t -110.95 112.03 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.64 119.04 1.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.893 ' O ' HG23 ' A' ' 23' ' ' THR . 36.3 mt-10 -88.33 45.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -131.18 74.6 79.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.895 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.582 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.81 -20.2 34.9 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.669 2.246 . . . . 0.0 112.31 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 20.8 m-85 -99.8 135.92 40.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.76 HG23 ' O ' ' A' ' 20' ' ' LYS . 78.8 mt -144.75 122.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.13 104.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -66.1 -41.16 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 10.4 mt-10 -35.42 -55.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.4 -49.71 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.59 45.74 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 14' ' ' ILE . 9.7 tptp -100.82 159.51 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.18 146.81 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 87.8 m-85 -149.56 159.26 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.893 HG23 ' O ' ' A' ' 10' ' ' GLU . 25.3 m -95.84 -54.38 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.484 HD12 ' OD1' ' A' ' 27' ' ' ASN . 17.6 mt -90.09 124.66 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -41.43 -35.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -68.38 -53.42 24.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' OD1' HD12 ' A' ' 24' ' ' ILE . 4.7 m120 -43.15 -32.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 32' ' ' GLN . 9.6 tp -71.95 -49.91 33.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mm -44.42 -53.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 7.1 tptm -47.88 -60.97 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.727 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.1 t60 -52.46 -49.12 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 16.2 mt-30 -53.02 -15.93 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 30' ' ' LYS . 5.4 pttp -68.81 -9.55 51.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -79.55 -23.78 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 34' ' ' ILE . 89.7 m-70 -87.49 16.55 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.6 p -76.65 -27.19 55.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -86.63 172.14 10.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -157.15 170.48 22.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 14.2 tptm -76.75 138.99 66.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.78 165.5 30.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -64.05 -66.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.46 146.02 12.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.92 17.36 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 m -42.1 159.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 p -164.13 133.81 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.468 -179.992 . . . . . . . . 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 -0.354 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 p -148.24 107.34 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -112.32 169.57 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.46 -135.19 2.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -173.12 134.8 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.9 p -79.46 147.82 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.41 -75.0 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 53.35 52.51 13.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.145 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.61 133.05 13.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.44 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -111.11 40.81 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 6.8 mtmm -146.38 143.97 20.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.555 0.693 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.76 -32.24 18.97 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 59.5 m-85 -90.0 136.18 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 13' ' ' TYR . 44.5 mm -141.0 125.08 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.49 75.78 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.11 -44.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ALA . 18.3 mm-40 -36.03 -58.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.16 -46.11 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.47 39.11 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.437 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -99.42 165.84 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -122.45 138.53 54.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.5 m-85 -133.16 151.95 51.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.7 m -94.26 -38.98 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -109.38 130.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -47.89 -39.38 18.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.534 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.7 m -63.75 -44.72 92.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -56.93 -30.69 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.406 HD13 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -80.51 -27.36 37.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 26' ' ' SER . 66.0 mt -69.69 -46.45 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -59.45 -40.38 86.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 45.5 t60 -53.31 -48.15 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -37.14 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.6 mmmt -56.95 -50.51 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -57.65 -19.71 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -85.85 -14.36 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -105.42 -5.17 20.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -80.63 -25.58 38.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -46.21 -25.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -44.53 143.6 2.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.636 0.731 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -168.93 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 49.0 m 59.28 42.45 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 37.62 -158.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.539 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 86.14 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.305 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -78.68 47.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.2 p -96.85 174.11 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.512 -179.963 . . . . . . . . 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 1.451 -0.334 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -136.01 106.4 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -107.93 86.19 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.55 40.29 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -110.58 85.75 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 0.0 110.865 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m -111.97 143.35 43.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.18 46.35 1.46 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -137.33 134.93 36.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.08 60.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.538 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.24 135.82 55.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -120.2 155.5 55.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -14.63 36.4 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 61.8 m-85 -134.88 118.98 17.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 142.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -82.54 103.73 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.79 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 70.8 mm-40 -48.77 -66.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.34 -48.93 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.93 61.8 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -118.67 132.78 56.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.48 138.35 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 28' ' ' LEU . 48.6 m-85 -130.85 157.07 43.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 p -82.89 -46.94 12.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.34 140.76 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.2 ttm180 -56.47 -49.99 73.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -57.45 -56.15 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.38 -36.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -68.96 -56.2 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 23.0 mm -34.15 -34.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.2 ttpm? -69.08 -48.69 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' LEU . 13.2 t60 -51.86 -38.1 54.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 2.0 mp0 -46.06 -20.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 31' ' ' HIS . 67.6 mttt -56.2 -37.49 69.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 4.7 pt -62.16 -16.23 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.8 m-70 -100.98 -10.58 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 p -117.32 104.5 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -120.46 -178.56 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -99.91 87.76 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -126.58 133.38 24.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.75 7.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.294 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -70.8 120.54 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.71 86.69 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -23.04 31.31 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.6 t 59.46 44.98 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' GLY . 51.9 m 57.54 44.42 21.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -80.01 -14.12 58.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -133.26 87.69 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.37 -136.47 3.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -112.82 -53.92 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -114.72 -60.17 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.21 -154.03 25.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.8 m -60.33 -46.5 89.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 -160.52 20.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -146.35 165.03 30.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.758 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 29.5 tptt -153.72 134.0 7.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -23.56 30.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.619 2.212 . . . . 0.0 112.383 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' C ' HD12 ' A' ' 14' ' ' ILE . 88.1 m-85 -133.97 137.02 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 11' ' ' LYS . 5.4 mp -144.76 117.82 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.86 118.71 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.42 35.9 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -127.14 -45.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 p -118.14 -46.63 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.18 -13.03 3.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 7.8 ttmm -45.15 159.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB1' ' HG2' ' A' ' 11' ' ' LYS . . . -137.35 126.89 25.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' CE ' ' A' ' 11' ' ' LYS . 96.8 m-85 -123.47 162.16 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.477 ' CA ' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -97.76 -45.73 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -89.59 148.54 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -61.9 -44.19 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -66.81 -40.93 88.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -48.06 -37.15 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.5 -41.03 33.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.5 mm -49.97 -46.41 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -45.1 94.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.705 ' CE1' HD11 ' A' ' 34' ' ' ILE . 81.0 t60 -50.19 -46.58 54.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -42.51 -23.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' HIS . 51.8 mmtt -52.73 -53.7 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.705 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.3 pt -61.02 -17.88 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -91.97 -32.82 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.5 p -79.94 -31.46 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.43 145.39 48.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -87.53 -43.6 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 28.1 tttp -174.13 140.69 0.78 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.72 81.1 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 m 47.83 43.29 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.28 159.05 46.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.84 -48.83 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 4.7 t 36.15 43.72 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.783 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.9 t -90.26 -56.98 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.465 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_