data_2dcv_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 2dcv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.2 mt -83.16 135.67 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -102.5 170.15 8.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.44 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -58.19 135.89 57.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.22 27.26 52.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.56 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.71 160.72 18.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.07 130.81 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 p -147.32 128.04 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.99 164.87 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 14' ' ' TYR . 15.4 m -55.94 -47.96 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.497 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD2' HG22 ' A' ' 13' ' ' VAL . 9.6 m-85 -90.67 24.3 2.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.761 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 p -68.7 -173.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.41 -126.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.386 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 -70.01 164.87 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.786 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -179.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.97 170.38 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.88 175.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.91 121.99 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.99 58.36 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.658 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 50.2 m-85 -140.02 151.22 45.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 2.2 p90 -142.21 167.38 22.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.6 t -105.78 137.24 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' CG ' ' CE2' ' A' ' 24' ' ' TYR . 5.0 mmm180 -122.63 142.58 50.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -70.01 161.4 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -72.69 -54.83 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 32' ' ' SER . 0.7 OUTLIER -156.09 163.01 26.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.0 92.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.568 2.179 . . . . 0.0 112.271 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.47 31.84 1.91 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.416 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 9.4 t -107.82 162.15 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 33' ' ' ILE . 14.1 tt -110.15 -30.54 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.031 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -114.84 154.34 28.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.814 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.96 -153.57 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.8 m -136.06 163.14 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.8 t -96.21 125.97 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 34.0 m -130.02 152.57 49.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 15.1 ptt180 -65.77 129.59 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 6.5 ptm180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.87 0.367 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 mt -92.22 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -90.03 165.23 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.01 128.93 35.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.31 27.29 12.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.46 162.6 17.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.08 129.94 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -150.24 145.71 26.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.81 167.86 9.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG23 ' CD2' ' A' ' 14' ' ' TYR . 14.0 m -58.36 -48.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.334 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.432 ' CD2' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.79 23.05 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.799 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -57.75 164.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.753 0.311 . . . . 0.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -123.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.321 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -59.38 157.67 10.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.719 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -69.9 175.22 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.93 -176.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.5 m -59.04 178.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.18 108.27 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.15 -20.03 38.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.76 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 61.9 m-85 -103.76 150.0 24.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -134.1 177.4 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 t -96.78 135.92 38.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -119.18 144.81 46.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.76 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -70.15 -49.01 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -153.59 162.0 27.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.93 96.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.689 2.259 . . . . 0.0 112.161 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.56 26.08 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.621 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -109.9 153.52 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.9 tt -101.61 -31.1 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 4.0 m-85 -112.14 141.33 45.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -142.21 3.53 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 m -135.66 157.7 46.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.98 135.19 33.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -130.03 172.56 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.22 126.65 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.96 121.6 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -99.27 170.11 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.673 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.22 139.83 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.57 4.03 90.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.706 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.18 163.17 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 117.35 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.16 138.99 44.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -111.36 163.18 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 14' ' ' TYR . 16.0 m -56.83 -47.99 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.503 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CD1' HG23 ' A' ' 13' ' ' VAL . 9.5 m-85 -90.62 24.07 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.802 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 p -64.92 -170.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.44 -124.76 1.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -60.16 165.45 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 m -71.76 178.65 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.38 176.29 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.6 m -60.09 171.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.84 115.66 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.43 20.06 52.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 16.1 m-85 -134.56 145.09 48.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.312 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -127.96 166.36 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -113.75 136.78 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -131.29 132.34 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 166.38 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.72 -50.05 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.0 161.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.709 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.74 91.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.701 2.267 . . . . 0.0 112.052 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.07 -13.39 4.39 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.659 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.69 172.0 11.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.349 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.2 tt -116.97 -30.68 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 6.0 m-85 -118.25 149.05 41.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 111.11 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -149.4 5.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 155.17 51.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -92.95 136.19 33.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 m -130.06 165.43 22.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -84.97 126.27 33.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.803 0.335 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.5 mt -89.53 121.34 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -94.54 171.74 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 132.86 54.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.19 27.26 23.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.59 166.13 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.72 115.18 26.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 p -135.61 134.81 39.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.781 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 173.96 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.481 HG23 ' CD1' ' A' ' 14' ' ' TYR . 21.1 m -70.62 -42.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD1' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.3 20.64 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.77 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.49 179.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.811 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -126.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 162.08 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -74.34 179.56 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -70.0 -179.66 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 m -60.69 172.19 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.73 123.53 17.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.54 85.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.751 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -107.09 147.89 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.804 0.335 . . . . 0.0 110.796 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.48 174.7 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 t -126.13 110.11 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 153.98 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.16 170.1 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.02 -51.41 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CE1' ' OG ' ' A' ' 32' ' ' SER . 4.3 p90 -160.02 160.33 26.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.8 98.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.673 2.249 . . . . 0.0 112.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.15 27.15 2.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.91 163.55 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.7 tt -110.5 -31.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 4.0 m-85 -112.35 164.81 12.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -160.96 9.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -130.46 146.74 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -85.16 125.71 33.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -130.07 155.15 46.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -78.56 150.61 32.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.445 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.2 t80 -97.88 167.83 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -58.56 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.69 27.84 25.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.84 166.37 12.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 126.76 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -150.33 131.56 14.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.3 164.29 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 14' ' ' TYR . 16.8 m -57.18 -46.68 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.342 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.445 ' CD1' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.5 23.78 2.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.752 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.3 t -67.45 -177.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -127.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -63.52 159.99 17.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.04 179.6 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.94 177.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.64 170.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 36.2 p90 -58.13 120.62 8.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 20.02 57.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 18.8 m-85 -136.59 142.85 43.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -122.15 174.48 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -116.74 116.76 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -108.09 131.23 54.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.03 168.18 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 40.7 m-20 -58.97 -55.35 36.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.2 p90 -153.62 163.28 24.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.6 95.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.63 30.19 3.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 t -100.77 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.45 HG12 ' CE1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -118.62 -34.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 13.4 m-85 -128.05 149.29 50.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.12 -151.88 5.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.424 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -130.05 151.17 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.67 131.12 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -130.07 153.46 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 9.0 ptt-85 -67.06 157.64 33.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 41.0 ttt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 mt -78.92 137.12 37.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 3.6 t80 -113.03 178.16 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -53.77 131.55 39.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.078 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.65 46.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.83 156.57 19.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.044 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.86 135.12 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 p -152.59 136.58 16.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.737 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.73 166.92 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 14' ' ' TYR . 11.2 m -55.15 -50.96 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.523 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CG ' HG21 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.79 26.28 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.813 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 p -63.94 167.24 6.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.01 -125.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 152.02 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.02 -177.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 m -70.06 -178.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.77 170.58 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -58.98 116.53 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.15 14.13 46.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.788 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 74.0 m-85 -140.05 146.07 38.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -134.8 173.42 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -101.94 150.0 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -140.06 136.94 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.01 179.09 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.99 -53.61 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -159.66 160.7 27.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.86 99.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.798 2.332 . . . . 0.0 112.09 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.29 25.47 3.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.1 p -107.49 172.71 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.431 HG22 ' CD1' ' A' ' 34' ' ' PHE . 20.3 tt -120.03 -46.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.473 ' CD1' ' CB ' ' A' ' 12' ' ' ARG . 3.8 m-30 -103.83 153.71 20.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 111.03 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -150.52 5.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.2 175.54 9.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.3 t -106.61 135.12 48.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.9 m -130.11 151.48 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.8 ptt180 -66.47 129.48 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.82 0.343 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.9 mt -95.58 121.93 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.1 177.19 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 138.32 54.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.94 27.72 57.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.32 162.13 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 128.39 36.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -152.44 133.7 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -105.42 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 14' ' ' TYR . 13.7 m -61.24 -50.45 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.392 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD1' HG22 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.8 22.61 3.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.803 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -179.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.32 -125.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.365 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.38 171.41 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 m -70.03 175.17 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.98 -176.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.3 m -66.13 176.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.85 117.98 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.15 4.85 66.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.913 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.7 m-85 -127.78 140.2 52.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 110.722 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.7 p90 -120.08 -177.83 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -127.63 111.73 14.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 1.7 mmp_? -108.88 144.19 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -71.7 169.87 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -75.01 -72.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.04 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -137.33 161.08 62.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.784 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.21 103.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.668 2.245 . . . . 0.0 112.05 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.79 23.13 4.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.3 t -109.93 166.08 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.3 tt -114.44 -30.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 3.8 m-85 -110.25 156.81 20.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 111.211 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.98 -156.1 7.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -135.71 160.79 37.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -96.41 127.4 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 m -129.96 148.76 51.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.6 mtm105 -57.78 146.14 32.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.817 0.341 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.5 141.28 46.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 5.9 t80 -110.71 168.85 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -50.01 136.06 19.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.48 27.06 37.02 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.88 158.73 22.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.95 123.65 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -144.23 133.88 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.92 161.74 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 HG21 ' CD2' ' A' ' 14' ' ' TYR . 12.2 m -52.74 -48.92 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.676 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CD2' HG21 ' A' ' 13' ' ' VAL . 8.6 m-85 -90.59 25.9 2.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.922 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -65.44 171.4 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.84 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -124.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.322 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.44 161.34 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.763 0.316 . . . . 0.0 110.787 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -70.05 178.31 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.01 -177.45 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.788 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.15 175.25 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.7 118.98 6.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 19.99 58.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.637 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 21.3 m-85 -137.48 145.45 43.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -131.18 -178.14 4.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.7 t -112.91 121.62 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -110.76 133.62 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 157.95 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.49 -65.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -145.32 162.99 34.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -47.79 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.539 2.16 . . . . 0.0 112.364 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.87 24.79 3.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.583 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.1 m -107.08 153.26 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.775 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.4 tt -107.62 -30.87 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 5.4 m-85 -116.47 143.4 45.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.978 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -145.0 4.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -137.54 155.38 49.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.8 t -79.47 133.07 36.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 142.24 50.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.26 158.55 19.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 4.1 mmm-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.51 140.95 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -114.23 176.57 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 131.95 51.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.87 31.38 23.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.28 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.98 129.53 36.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -155.81 133.13 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.464 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.98 177.69 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 HG21 ' CD2' ' A' ' 14' ' ' TYR . 13.2 m -63.44 -51.57 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.328 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CD2' HG21 ' A' ' 13' ' ' VAL . 7.5 m-85 -90.98 22.71 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.792 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -179.92 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -125.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.357 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.3 167.1 20.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.807 0.337 . . . . 0.0 110.802 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -70.0 177.52 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 m -70.01 -177.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.3 m -69.18 174.81 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -64.14 121.62 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.83 10.01 61.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.744 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 39' ' ' ARG . 14.5 m-85 -137.64 161.71 35.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -150.12 160.64 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.7 t -90.04 149.05 22.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -140.06 142.51 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -80.26 159.99 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.417 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.5 m-20 -66.31 -50.61 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.5 p90 -159.97 161.08 26.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.29 92.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.41 33.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -106.49 173.82 6.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 34' ' ' PHE . 2.6 tp -116.92 -31.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 33' ' ' ILE . 20.1 m-85 -134.11 153.39 51.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.06 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.74 -146.53 4.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -133.4 164.17 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -95.65 131.12 42.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -130.0 164.04 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.75 133.47 44.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 26.5 ptt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.5 mt -74.65 112.75 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.5 t80 -101.38 170.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.28 135.81 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.007 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.57 36.32 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.375 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.81 153.26 33.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -89.89 117.41 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -130.62 129.86 43.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 162.06 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.052 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 14' ' ' TYR . 16.2 m -54.61 -46.88 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.514 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.64 24.07 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.734 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -69.47 -175.93 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.776 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.78 -125.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 174.98 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.778 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -70.03 177.36 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.95 -178.91 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.7 m -63.61 173.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.01 114.9 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -0.47 60.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.804 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 5.3 m-85 -125.22 154.75 41.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -138.06 179.92 6.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.51 116.89 32.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.659 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.95 129.01 45.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 148.4 35.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -55.67 -57.16 13.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.993 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -159.96 162.49 24.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.49 92.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.6 1.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 p -104.26 177.37 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.813 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.448 HG12 ' CE1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.05 -35.73 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 12.4 m-85 -127.89 155.67 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.45 -153.01 5.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -135.38 159.04 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.9 t -95.99 129.24 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.0 m -130.11 171.52 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.5 mtm-85 -71.38 154.26 41.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.832 0.348 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mt -78.57 115.85 18.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -93.18 167.02 12.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -62.01 133.33 55.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.0 -15.95 30.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.748 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.01 178.33 6.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.49 151.33 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.985 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 p -160.06 132.16 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 168.36 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.059 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 14' ' ' TYR . 7.6 m -52.55 -52.93 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.081 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.422 ' CD1' HG21 ' A' ' 13' ' ' VAL . 5.4 m-85 -90.53 24.55 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.115 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -64.96 178.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 110.75 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.229 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.28 163.52 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.657 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -69.96 179.77 2.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.768 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -69.99 174.78 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.73 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 m -59.43 166.88 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.22 116.93 4.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.68 -20.12 45.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.7 m-85 -107.86 141.81 38.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -112.89 -179.16 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -130.98 125.75 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -126.28 144.72 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.95 166.11 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -57.58 -61.99 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.63 160.77 37.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.9 90.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.624 2.216 . . . . 0.0 112.111 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.01 -9.31 4.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.799 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.51 171.39 14.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.3 tt -111.87 -30.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CG ' ' HB3' ' A' ' 12' ' ' ARG . 4.4 m-85 -112.54 159.09 19.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.983 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.14 -147.23 4.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.591 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.42 165.33 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -92.55 127.95 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 m -130.07 161.36 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -83.26 138.94 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.34 109.28 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.3 170.02 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 140.34 52.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.71 26.87 31.01 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.99 176.09 6.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -96.39 127.64 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.76 128.15 13.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.91 161.9 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 14' ' ' TYR . 8.8 m -53.67 -49.79 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.529 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.435 ' CD2' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.65 25.74 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t -65.51 172.38 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 110.677 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.77 -125.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.46 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 159.1 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -70.02 175.65 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.86 178.0 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.57 169.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.062 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -59.12 132.96 55.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 12.88 79.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.617 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 24.9 m-85 -140.22 127.57 21.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.55 0.214 . . . . 0.0 110.696 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 4.2 p90 -117.85 171.76 7.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.86 152.51 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -131.27 143.05 50.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -83.24 150.41 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.742 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 61.2 m-20 -58.51 -57.21 13.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 11.4 p90 -159.77 162.31 25.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.803 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.79 96.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.533 2.155 . . . . 0.0 112.383 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 25.36 3.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.98 163.69 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.1 tt -112.65 -29.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -119.77 145.31 46.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.875 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.14 -151.33 5.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.648 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -125.82 153.02 44.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.998 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.37 137.57 33.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 m -130.14 177.25 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.445 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.54 156.41 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.6 mmt180 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.9 mt -88.74 126.33 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -92.87 169.0 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -59.43 135.04 57.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.9 26.57 28.82 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.3 170.02 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -97.31 127.42 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -151.89 136.78 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.488 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 6.3 ptt180 -99.98 175.51 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.476 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 21.0 m -70.35 -42.74 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.476 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 8.1 m-85 -90.36 18.77 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.56 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.74 174.31 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.863 0.364 . . . . 0.0 110.827 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.12 -125.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.367 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.48 159.95 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 m -69.98 -177.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.88 -176.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.9 177.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.87 113.74 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.03 -14.84 31.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.796 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 2.7 m-85 -123.71 145.75 48.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.757 0.313 . . . . 0.0 110.864 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -118.38 -178.03 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -111.97 118.62 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -111.77 147.46 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.88 173.79 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.423 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -73.23 -51.56 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 6.7 p90 -159.98 160.17 27.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.787 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.07 92.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.14 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.15 36.81 0.68 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.436 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -108.76 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.449 HG13 ' CD1' ' A' ' 34' ' ' PHE . 2.1 tp -111.58 -31.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CG ' ' HB3' ' A' ' 12' ' ' ARG . 26.7 m-85 -139.16 159.66 41.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 0.0 111.017 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -149.88 5.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.458 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 m -132.56 163.32 29.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 t -94.61 133.84 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 m -130.05 158.02 40.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.416 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.8 mt -109.42 114.63 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.41 173.37 8.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.784 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 134.17 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.36 24.84 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.49 159.79 25.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.838 0.352 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -90.7 130.65 36.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -147.18 129.22 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.1 161.32 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 14' ' ' TYR . 17.1 m -52.74 -45.67 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.523 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' HG21 ' A' ' 13' ' ' VAL . 10.0 m-85 -90.61 22.34 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.637 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.408 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 83.0 p -63.56 175.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 110.757 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.97 -124.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.34 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 168.83 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.755 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 m -71.73 178.08 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.9 -178.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.6 m -60.86 178.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -64.62 120.66 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.53 66.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.632 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 17.7 m-85 -134.43 140.78 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.667 0.27 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.486 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 2.0 p90 -125.68 163.61 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.06 124.01 46.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.74 144.71 37.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -85.37 156.84 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 71.3 m-20 -59.37 -51.11 71.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.6 p90 -157.46 160.95 30.05 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.759 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.55 99.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.634 2.223 . . . . 0.0 112.127 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.1 26.93 3.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.537 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.406 ' OG ' ' CD2' ' A' ' 29' ' ' PHE . 50.0 m -106.23 168.18 9.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tt -113.42 -30.81 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.278 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 6.5 m-85 -119.3 146.53 45.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.028 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.19 -149.38 4.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.367 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.98 158.48 44.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -87.34 136.73 32.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -130.03 148.95 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 8.0 ptt180 -66.84 135.21 53.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 61.6 ttt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.5 mt -75.15 119.16 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.99 169.92 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -57.17 133.24 54.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.05 24.67 47.64 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.51 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.52 162.59 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -90.02 127.37 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -147.03 138.47 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.8 167.43 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG22 ' CG ' ' A' ' 14' ' ' TYR . 12.4 m -56.73 -50.53 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.379 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CG ' HG22 ' A' ' 13' ' ' VAL . 7.7 m-85 -90.83 23.37 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.724 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -57.7 -179.92 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.752 0.311 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.78 -125.93 0.2 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.382 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.42 161.53 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.804 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -69.99 175.27 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.07 178.24 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.1 173.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.1 114.77 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.55 20.06 35.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.677 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 89.5 m-85 -134.31 143.14 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.98 169.89 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -133.26 127.9 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -131.29 155.67 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -78.12 -179.83 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.31 -59.85 2.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -146.77 162.16 34.71 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.83 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.24 100.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.824 2.35 . . . . 0.0 112.088 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.41 24.86 3.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.573 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -109.55 163.63 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.9 tt -116.97 -30.7 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.355 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 4.7 m-85 -113.43 148.27 36.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.203 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -148.69 4.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -136.08 164.75 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -107.17 129.49 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.3 m -130.12 144.92 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.5 ppt_? -59.74 138.67 57.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -81.85 123.1 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -92.76 168.13 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.43 130.39 46.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.94 26.99 17.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.569 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.02 173.71 6.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.43 118.56 31.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.5 p -146.01 134.99 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -102.09 164.7 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.954 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 14' ' ' TYR . 11.8 m -55.94 -50.67 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.577 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD1' HG21 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.79 26.99 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.583 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 53.3 p -64.69 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.07 -122.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.626 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 172.94 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -88.64 170.78 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.94 170.2 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.53 117.87 6.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.32 20.03 47.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 39.9 m-85 -140.03 132.45 28.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -116.36 178.33 4.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 t -114.27 118.2 33.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -112.88 134.79 54.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -79.01 175.19 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -71.9 -56.43 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -152.78 161.46 29.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.64 96.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.718 2.279 . . . . 0.0 112.162 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.04 -22.86 3.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.462 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -69.92 164.07 24.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.845 0.355 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.0 tt -115.1 -31.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.279 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.65 145.01 39.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.08 -153.75 6.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.51 151.46 46.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -91.84 126.65 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.0 m -130.04 160.17 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -68.52 151.73 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.794 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 mt -96.56 126.54 41.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -102.58 175.51 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 134.63 42.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.1 49.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.02 168.03 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -94.66 132.29 39.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 p -158.53 131.57 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -100.16 178.27 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 14' ' ' TYR . 16.3 m -66.46 -49.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.86 22.28 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.715 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.71 174.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.46 -125.8 0.11 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 161.57 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -72.52 -172.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.86 -177.44 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.95 175.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.27 116.29 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.29 20.11 59.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.665 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 14.2 m-85 -129.89 139.97 51.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 38' ' ' SER . 9.8 p90 -121.84 174.66 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -123.2 139.56 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -122.07 157.02 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.33 157.55 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -67.93 -54.62 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -160.15 162.49 24.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.51 99.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.602 2.202 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.09 40.66 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 p -106.0 169.97 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 111.026 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 34' ' ' PHE . 2.5 tp -113.47 -31.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.484 ' CD1' HG13 ' A' ' 33' ' ' ILE . 21.2 m-85 -134.24 150.81 51.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.91 -148.6 5.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.9 m -135.49 158.05 45.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.0 t -90.57 133.73 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 5.7 m -127.7 144.81 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.29 141.8 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.816 0.341 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 117.06 4.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 26.0 t80 -103.1 163.26 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 6.5 ptt180 -58.48 148.07 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.52 42.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.25 175.07 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -98.49 129.12 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -142.95 137.79 29.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.99 171.38 7.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 14' ' ' TYR . 13.5 m -62.96 -51.72 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.617 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD2' HG22 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.93 27.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.992 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -64.14 170.19 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.92 -124.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.308 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.07 150.65 24.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.89 176.23 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -69.9 172.9 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.6 m -58.68 160.58 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.1 118.6 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.29 -15.44 42.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.588 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 7' ' ' ARG . 6.1 m-85 -121.8 137.15 54.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -119.51 161.4 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -90.8 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -133.15 148.41 52.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -91.92 156.5 17.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -59.58 -69.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -145.4 162.72 35.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -47.78 99.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.574 2.183 . . . . 0.0 112.314 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.19 8.05 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.718 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -99.6 149.13 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.319 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.1 tt -102.86 -30.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.253 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 4.6 m-85 -113.72 145.79 40.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.186 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -140.8 3.29 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.1 m -143.32 145.11 32.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.11 140.36 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 m -130.1 172.96 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 ptm180 -89.46 136.24 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -84.46 105.3 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.7 t80 -99.94 166.58 10.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.18 141.54 50.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.09 -26.0 21.95 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.89 164.82 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -93.73 153.73 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.06 138.38 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.95 160.88 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.98 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 14' ' ' TYR . 14.4 m -54.64 -48.11 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.517 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' HG22 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.63 25.48 2.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.814 -179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 p -66.18 170.02 6.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.312 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.79 -124.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.413 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.66 153.38 16.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 m -69.99 -178.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 m -70.05 -177.6 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.83 173.23 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.19 110.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.35 13.54 32.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.69 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 29.8 m-85 -140.1 153.27 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.82 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -137.33 165.94 24.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -90.05 127.07 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -111.13 155.87 22.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -93.96 167.04 11.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -79.05 -59.68 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.56 162.94 25.11 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.01 97.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.611 2.208 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.27 26.65 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.3 t -106.93 154.65 20.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.4 tt -107.06 -30.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.59 147.48 43.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -134.91 2.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.7 165.34 29.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.339 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.9 t -86.98 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -129.99 166.04 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 3.8 ptt180 -86.34 125.89 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -102.26 134.13 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.19 171.59 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 135.04 56.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.61 27.35 35.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.68 160.16 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -89.99 114.01 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 p -133.68 151.2 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.05 164.83 16.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' A' ' 14' ' ' TYR . 11.1 m -55.94 -51.27 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.673 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CD1' HG21 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.8 25.4 2.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.078 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 p -62.58 178.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.38 -123.82 0.19 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.304 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 157.11 16.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -69.97 175.28 4.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -69.94 -178.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.4 m -59.59 160.95 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -58.63 126.24 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.16 -20.09 49.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.68 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 4.6 m-85 -101.41 165.95 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CD1' ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -150.15 151.18 32.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.977 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -90.91 142.23 27.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -127.88 135.81 50.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 178.65 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -84.35 -52.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -155.2 161.89 28.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.67 92.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.733 2.289 . . . . 0.0 112.128 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.85 26.19 3.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.553 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 t -91.39 175.93 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 34' ' ' PHE . 1.5 tp -119.91 -34.96 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.291 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 14.4 m-85 -130.41 152.72 49.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.891 0.377 . . . . 0.0 111.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.86 5.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 m -130.87 148.9 52.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -85.06 129.35 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -130.14 174.76 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.0 142.97 27.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.809 0.338 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -118.96 -41.1 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -73.57 169.57 16.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p -136.44 169.26 17.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.2 mt -83.16 135.67 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -102.5 170.15 8.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.44 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -58.19 135.89 57.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.22 27.26 52.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.56 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.71 160.72 18.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.07 130.81 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 p -147.32 128.04 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.99 164.87 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 14' ' ' TYR . 15.4 m -55.94 -47.96 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.497 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD2' HG22 ' A' ' 13' ' ' VAL . 9.6 m-85 -90.67 24.3 2.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.761 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 p -68.7 -173.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.41 -126.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.386 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 -70.01 164.87 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.786 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -179.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.97 170.38 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.88 175.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.91 121.99 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.99 58.36 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.658 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 50.2 m-85 -140.02 151.22 45.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 2.2 p90 -142.21 167.38 22.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.6 t -105.78 137.24 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' CG ' ' CE2' ' A' ' 24' ' ' TYR . 5.0 mmm180 -122.63 142.58 50.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -70.01 161.4 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -72.69 -54.83 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 32' ' ' SER . 0.7 OUTLIER -156.09 163.01 26.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.0 92.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.568 2.179 . . . . 0.0 112.271 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.47 31.84 1.91 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.416 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 9.4 t -107.82 162.15 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 33' ' ' ILE . 14.1 tt -110.15 -30.54 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.031 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -114.84 154.34 28.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.814 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.96 -153.57 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.8 m -136.06 163.14 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.8 t -96.21 125.97 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 34.0 m -130.02 152.57 49.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 15.1 ptt180 -65.77 129.59 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 6.5 ptm180 -82.41 58.61 4.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -89.47 99.54 12.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -62.71 -45.21 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -174.92 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p -123.83 176.79 6.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 mt -92.22 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -90.03 165.23 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.01 128.93 35.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.31 27.29 12.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.46 162.6 17.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.08 129.94 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -150.24 145.71 26.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.81 167.86 9.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG23 ' CD2' ' A' ' 14' ' ' TYR . 14.0 m -58.36 -48.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.334 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.432 ' CD2' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.79 23.05 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.799 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -57.75 164.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.753 0.311 . . . . 0.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -123.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.321 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -59.38 157.67 10.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.719 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -69.9 175.22 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.93 -176.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.5 m -59.04 178.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.18 108.27 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.15 -20.03 38.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.76 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 61.9 m-85 -103.76 150.0 24.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -134.1 177.4 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 t -96.78 135.92 38.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -119.18 144.81 46.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.76 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -70.15 -49.01 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -153.59 162.0 27.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.93 96.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.689 2.259 . . . . 0.0 112.161 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.56 26.08 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.621 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -109.9 153.52 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.9 tt -101.61 -31.1 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 4.0 m-85 -112.14 141.33 45.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -142.21 3.53 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 m -135.66 157.7 46.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.98 135.19 33.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -130.03 172.56 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.22 126.65 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 161.84 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -71.97 165.38 24.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.923 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.417 ' CD2' HG23 ' A' ' 2' ' ' VAL . 4.1 p90 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.747 0.308 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.417 HG23 ' CD2' ' A' ' 1' ' ' TYR . 34.3 m -144.59 134.4 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -146.76 170.23 17.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -99.63 162.62 12.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.96 121.6 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -99.27 170.11 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.673 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.22 139.83 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.57 4.03 90.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.706 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.18 163.17 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 117.35 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.16 138.99 44.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -111.36 163.18 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 14' ' ' TYR . 16.0 m -56.83 -47.99 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.503 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CD1' HG23 ' A' ' 13' ' ' VAL . 9.5 m-85 -90.62 24.07 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.802 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 p -64.92 -170.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.44 -124.76 1.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -60.16 165.45 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 m -71.76 178.65 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.38 176.29 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.6 m -60.09 171.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.84 115.66 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.43 20.06 52.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 16.1 m-85 -134.56 145.09 48.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.312 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -127.96 166.36 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -113.75 136.78 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -131.29 132.34 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 166.38 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.72 -50.05 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.0 161.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.709 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.74 91.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.701 2.267 . . . . 0.0 112.052 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.07 -13.39 4.39 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.659 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.69 172.0 11.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.349 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.2 tt -116.97 -30.68 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 6.0 m-85 -118.25 149.05 41.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 111.11 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -149.4 5.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 155.17 51.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -92.95 136.19 33.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 m -130.06 165.43 22.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -84.97 126.27 33.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -35.43 80.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.98 119.35 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.895 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.808 0.337 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.1 m -94.32 101.15 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.1 154.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -97.23 172.84 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.5 mt -89.53 121.34 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -94.54 171.74 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 132.86 54.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.19 27.26 23.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.59 166.13 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.72 115.18 26.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 p -135.61 134.81 39.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.781 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 173.96 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 HG23 ' CD1' ' A' ' 14' ' ' TYR . 21.1 m -70.62 -42.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD1' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.3 20.64 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.77 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.49 179.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.811 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -126.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 162.08 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -74.34 179.56 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -70.0 -179.66 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 m -60.69 172.19 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.73 123.53 17.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.54 85.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.751 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -107.09 147.89 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.804 0.335 . . . . 0.0 110.796 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.48 174.7 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 t -126.13 110.11 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 153.98 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.16 170.1 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.02 -51.41 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CE1' ' OG ' ' A' ' 32' ' ' SER . 4.3 p90 -160.02 160.33 26.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.8 98.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.673 2.249 . . . . 0.0 112.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.15 27.15 2.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.91 163.55 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.7 tt -110.5 -31.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 4.0 m-85 -112.35 164.81 12.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -160.96 9.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -130.46 146.74 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -85.16 125.71 33.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -130.07 155.15 46.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -78.56 150.61 32.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.445 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -66.22 129.19 38.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.905 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -100.04 142.84 30.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.793 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.1 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.87 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.806 0.336 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.0 m -99.83 30.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 121.29 20.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p -144.76 177.22 8.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.2 t80 -97.88 167.83 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -58.56 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.69 27.84 25.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.84 166.37 12.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 126.76 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -150.33 131.56 14.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.3 164.29 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 14' ' ' TYR . 16.8 m -57.18 -46.68 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.342 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.445 ' CD1' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.5 23.78 2.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.752 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.3 t -67.45 -177.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -127.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -63.52 159.99 17.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.04 179.6 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.94 177.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.64 170.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 36.2 p90 -58.13 120.62 8.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 20.02 57.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 18.8 m-85 -136.59 142.85 43.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -122.15 174.48 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -116.74 116.76 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -108.09 131.23 54.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.03 168.18 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 40.7 m-20 -58.97 -55.35 36.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.2 p90 -153.62 163.28 24.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.6 95.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.63 30.19 3.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 t -100.77 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.45 HG12 ' CE1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -118.62 -34.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 13.4 m-85 -128.05 149.29 50.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.12 -151.88 5.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.424 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -130.05 151.17 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.67 131.12 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -130.07 153.46 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 9.0 ptt-85 -67.06 157.64 33.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 41.0 ttt180 -85.25 -66.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.33 175.33 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.937 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.0 t -86.88 -61.19 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.1 p -61.41 107.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.11 157.47 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 mt -78.92 137.12 37.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 3.6 t80 -113.03 178.16 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -53.77 131.55 39.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.078 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.65 46.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.83 156.57 19.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.044 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.86 135.12 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 p -152.59 136.58 16.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.737 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.73 166.92 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 14' ' ' TYR . 11.2 m -55.15 -50.96 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.523 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CG ' HG21 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.79 26.28 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.813 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 p -63.94 167.24 6.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.01 -125.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 152.02 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.02 -177.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 m -70.06 -178.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.77 170.58 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -58.98 116.53 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.15 14.13 46.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.788 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 74.0 m-85 -140.05 146.07 38.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -134.8 173.42 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -101.94 150.0 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -140.06 136.94 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.01 179.09 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.99 -53.61 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -159.66 160.7 27.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.86 99.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.798 2.332 . . . . 0.0 112.09 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.29 25.47 3.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.1 p -107.49 172.71 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.431 HG22 ' CD1' ' A' ' 34' ' ' PHE . 20.3 tt -120.03 -46.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.473 ' CD1' ' CB ' ' A' ' 12' ' ' ARG . 3.8 m-30 -103.83 153.71 20.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 111.03 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -150.52 5.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.2 175.54 9.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.3 t -106.61 135.12 48.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.9 m -130.11 151.48 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.8 ptt180 -66.47 129.48 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 77.2 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -141.28 35.28 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.4 m -145.98 168.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.02 -171.34 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p -90.03 176.21 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.9 mt -95.58 121.93 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.1 177.19 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 138.32 54.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.94 27.72 57.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.32 162.13 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 128.39 36.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -152.44 133.7 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -105.42 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 14' ' ' TYR . 13.7 m -61.24 -50.45 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.392 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD1' HG22 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.8 22.61 3.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.803 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -179.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.32 -125.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.365 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.38 171.41 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 m -70.03 175.17 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.98 -176.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.3 m -66.13 176.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.85 117.98 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.15 4.85 66.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.913 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.7 m-85 -127.78 140.2 52.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 110.722 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.7 p90 -120.08 -177.83 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -127.63 111.73 14.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 1.7 mmp_? -108.88 144.19 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -71.7 169.87 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -75.01 -72.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.04 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -137.33 161.08 62.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.784 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.21 103.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.668 2.245 . . . . 0.0 112.05 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.79 23.13 4.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.3 t -109.93 166.08 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.3 tt -114.44 -30.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 3.8 m-85 -110.25 156.81 20.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 111.211 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.98 -156.1 7.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -135.71 160.79 37.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -96.41 127.4 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 m -129.96 148.76 51.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.6 mtm105 -57.78 146.14 32.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -81.08 123.11 28.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.16 162.54 26.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.83 0.348 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.31 158.07 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.43 179.94 4.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.56 -176.98 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.5 141.28 46.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 5.9 t80 -110.71 168.85 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -50.01 136.06 19.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.48 27.06 37.02 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.88 158.73 22.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.95 123.65 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -144.23 133.88 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.92 161.74 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 HG21 ' CD2' ' A' ' 14' ' ' TYR . 12.2 m -52.74 -48.92 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.676 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CD2' HG21 ' A' ' 13' ' ' VAL . 8.6 m-85 -90.59 25.9 2.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.922 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -65.44 171.4 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.84 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -124.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.322 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.44 161.34 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.763 0.316 . . . . 0.0 110.787 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -70.05 178.31 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.01 -177.45 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.788 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.15 175.25 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.7 118.98 6.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 19.99 58.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.637 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 21.3 m-85 -137.48 145.45 43.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -131.18 -178.14 4.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.7 t -112.91 121.62 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -110.76 133.62 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 157.95 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.49 -65.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -145.32 162.99 34.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -47.79 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.539 2.16 . . . . 0.0 112.364 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.87 24.79 3.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.583 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.1 m -107.08 153.26 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.775 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.4 tt -107.62 -30.87 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 5.4 m-85 -116.47 143.4 45.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.978 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -145.0 4.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -137.54 155.38 49.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.8 t -79.47 133.07 36.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 142.24 50.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.26 158.55 19.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 4.1 mmm-85 -79.2 153.58 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -159.44 84.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p -71.12 68.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 p -100.43 124.39 45.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p -126.34 -179.75 4.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.51 140.95 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -114.23 176.57 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 131.95 51.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.87 31.38 23.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.28 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.98 129.53 36.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -155.81 133.13 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.464 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.98 177.69 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 HG21 ' CD2' ' A' ' 14' ' ' TYR . 13.2 m -63.44 -51.57 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.328 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CD2' HG21 ' A' ' 13' ' ' VAL . 7.5 m-85 -90.98 22.71 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.792 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -179.92 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -125.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.357 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.3 167.1 20.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.807 0.337 . . . . 0.0 110.802 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -70.0 177.52 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 m -70.01 -177.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.3 m -69.18 174.81 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -64.14 121.62 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.83 10.01 61.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.744 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 39' ' ' ARG . 14.5 m-85 -137.64 161.71 35.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -150.12 160.64 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.7 t -90.04 149.05 22.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -140.06 142.51 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -80.26 159.99 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.417 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.5 m-20 -66.31 -50.61 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.5 p90 -159.97 161.08 26.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.29 92.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.41 33.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -106.49 173.82 6.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 34' ' ' PHE . 2.6 tp -116.92 -31.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 33' ' ' ILE . 20.1 m-85 -134.11 153.39 51.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.06 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.74 -146.53 4.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -133.4 164.17 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -95.65 131.12 42.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -130.0 164.04 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.75 133.47 44.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 26.5 ptt85 -92.64 126.03 37.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -125.26 124.17 41.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.93 179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -81.87 -25.45 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.238 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -126.38 46.48 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.4 p -107.43 172.74 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.5 mt -74.65 112.75 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.5 t80 -101.38 170.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.28 135.81 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.007 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.57 36.32 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.375 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.81 153.26 33.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -89.89 117.41 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -130.62 129.86 43.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 162.06 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.052 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 14' ' ' TYR . 16.2 m -54.61 -46.88 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.514 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.64 24.07 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.734 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -69.47 -175.93 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.776 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.78 -125.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 174.98 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.778 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -70.03 177.36 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.95 -178.91 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.7 m -63.61 173.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.01 114.9 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -0.47 60.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.804 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 5.3 m-85 -125.22 154.75 41.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -138.06 179.92 6.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.51 116.89 32.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.659 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.95 129.01 45.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 148.4 35.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -55.67 -57.16 13.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.993 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -159.96 162.49 24.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.49 92.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.6 1.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 p -104.26 177.37 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.813 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.448 HG12 ' CE1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.05 -35.73 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 12.4 m-85 -127.89 155.67 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.45 -153.01 5.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -135.38 159.04 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.9 t -95.99 129.24 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.0 m -130.11 171.52 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.5 mtm-85 -71.38 154.26 41.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.8 OUTLIER -83.96 -31.17 25.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -79.81 160.32 26.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.3 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.855 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.87 147.37 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 t -91.93 112.61 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.9 p -121.99 172.04 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mt -78.57 115.85 18.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -93.18 167.02 12.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -62.01 133.33 55.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.0 -15.95 30.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.748 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.01 178.33 6.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.49 151.33 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.985 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 p -160.06 132.16 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 168.36 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.059 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 14' ' ' TYR . 7.6 m -52.55 -52.93 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.081 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.422 ' CD1' HG21 ' A' ' 13' ' ' VAL . 5.4 m-85 -90.53 24.55 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.115 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -64.96 178.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 110.75 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.229 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.28 163.52 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.657 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -69.96 179.77 2.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.768 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -69.99 174.78 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.73 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 m -59.43 166.88 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.22 116.93 4.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.68 -20.12 45.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.7 m-85 -107.86 141.81 38.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -112.89 -179.16 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -130.98 125.75 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -126.28 144.72 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.95 166.11 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -57.58 -61.99 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.63 160.77 37.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.9 90.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.624 2.216 . . . . 0.0 112.111 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.01 -9.31 4.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.799 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.51 171.39 14.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.3 tt -111.87 -30.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CG ' ' HB3' ' A' ' 12' ' ' ARG . 4.4 m-85 -112.54 159.09 19.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.983 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.14 -147.23 4.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.591 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.42 165.33 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -92.55 127.95 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 m -130.07 161.36 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -83.26 138.94 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -72.56 104.2 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -132.12 89.88 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.858 0.361 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.1 140.66 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.04 152.44 19.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.9 p -124.12 177.99 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.34 109.28 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.3 170.02 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 140.34 52.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.71 26.87 31.01 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.99 176.09 6.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -96.39 127.64 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.76 128.15 13.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.91 161.9 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 14' ' ' TYR . 8.8 m -53.67 -49.79 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.529 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.435 ' CD2' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.65 25.74 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t -65.51 172.38 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 110.677 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.77 -125.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.46 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 159.1 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -70.02 175.65 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.86 178.0 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.57 169.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.062 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -59.12 132.96 55.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 12.88 79.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.617 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 24.9 m-85 -140.22 127.57 21.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.55 0.214 . . . . 0.0 110.696 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 4.2 p90 -117.85 171.76 7.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.86 152.51 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -131.27 143.05 50.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -83.24 150.41 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.742 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 61.2 m-20 -58.51 -57.21 13.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 11.4 p90 -159.77 162.31 25.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.803 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.79 96.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.533 2.155 . . . . 0.0 112.383 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 25.36 3.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.98 163.69 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.1 tt -112.65 -29.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -119.77 145.31 46.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.875 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.14 -151.33 5.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.648 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -125.82 153.02 44.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.998 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.37 137.57 33.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 m -130.14 177.25 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.445 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.54 156.41 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.6 mmt180 -69.54 80.45 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -151.05 132.21 14.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.898 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.826 0.346 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.62 -21.48 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -59.96 -21.41 61.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.175 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p -124.45 169.36 11.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.9 mt -88.74 126.33 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -92.87 169.0 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -59.43 135.04 57.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.9 26.57 28.82 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.3 170.02 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -97.31 127.42 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -151.89 136.78 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 6.3 ptt180 -99.98 175.51 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.476 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 21.0 m -70.35 -42.74 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.476 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 8.1 m-85 -90.36 18.77 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.56 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.74 174.31 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.863 0.364 . . . . 0.0 110.827 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.12 -125.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.367 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.48 159.95 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 m -69.98 -177.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.88 -176.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.9 177.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.87 113.74 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.03 -14.84 31.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.796 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 2.7 m-85 -123.71 145.75 48.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.757 0.313 . . . . 0.0 110.864 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -118.38 -178.03 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -111.97 118.62 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -111.77 147.46 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.88 173.79 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.423 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -73.23 -51.56 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 6.7 p90 -159.98 160.17 27.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.787 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.07 92.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.14 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.15 36.81 0.68 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.436 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -108.76 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.449 HG13 ' CD1' ' A' ' 34' ' ' PHE . 2.1 tp -111.58 -31.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CG ' ' HB3' ' A' ' 12' ' ' ARG . 26.7 m-85 -139.16 159.66 41.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 0.0 111.017 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -149.88 5.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.458 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 m -132.56 163.32 29.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 t -94.61 133.84 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 m -130.05 158.02 40.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -91.41 117.82 30.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.41 169.4 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.918 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.46 -66.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.44 153.39 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p -133.37 -177.45 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.8 mt -109.42 114.63 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.41 173.37 8.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.784 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 134.17 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.36 24.84 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.49 159.79 25.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.838 0.352 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -90.7 130.65 36.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -147.18 129.22 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.1 161.32 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 14' ' ' TYR . 17.1 m -52.74 -45.67 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.523 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' HG21 ' A' ' 13' ' ' VAL . 10.0 m-85 -90.61 22.34 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.637 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 83.0 p -63.56 175.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 110.757 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.97 -124.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.34 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 168.83 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.755 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 m -71.73 178.08 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.9 -178.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.6 m -60.86 178.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -64.62 120.66 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.53 66.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.632 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 17.7 m-85 -134.43 140.78 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.667 0.27 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.486 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 2.0 p90 -125.68 163.61 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.06 124.01 46.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.74 144.71 37.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -85.37 156.84 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 71.3 m-20 -59.37 -51.11 71.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.6 p90 -157.46 160.95 30.05 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.759 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.55 99.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.634 2.223 . . . . 0.0 112.127 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.1 26.93 3.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.537 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.406 ' OG ' ' CD2' ' A' ' 29' ' ' PHE . 50.0 m -106.23 168.18 9.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tt -113.42 -30.81 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.278 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 6.5 m-85 -119.3 146.53 45.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.028 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.19 -149.38 4.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.367 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.98 158.48 44.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -87.34 136.73 32.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -130.03 148.95 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 8.0 ptt180 -66.84 135.21 53.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 61.6 ttt180 -84.42 -40.86 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -164.29 106.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.889 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 50.3 p90 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.838 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 m -103.58 132.53 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.97 106.37 8.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p -142.04 168.94 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.5 mt -75.15 119.16 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.99 169.92 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -57.17 133.24 54.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.05 24.67 47.64 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.51 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.52 162.59 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -90.02 127.37 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -147.03 138.47 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.8 167.43 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG22 ' CG ' ' A' ' 14' ' ' TYR . 12.4 m -56.73 -50.53 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.379 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CG ' HG22 ' A' ' 13' ' ' VAL . 7.7 m-85 -90.83 23.37 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.724 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -57.7 -179.92 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.752 0.311 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.78 -125.93 0.2 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.382 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.42 161.53 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.804 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -69.99 175.27 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.07 178.24 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.1 173.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.1 114.77 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.55 20.06 35.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.677 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 89.5 m-85 -134.31 143.14 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.98 169.89 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -133.26 127.9 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -131.29 155.67 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -78.12 -179.83 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.31 -59.85 2.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -146.77 162.16 34.71 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.83 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.24 100.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.824 2.35 . . . . 0.0 112.088 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.41 24.86 3.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.573 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -109.55 163.63 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.9 tt -116.97 -30.7 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.355 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 4.7 m-85 -113.43 148.27 36.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.203 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -148.69 4.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -136.08 164.75 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -107.17 129.49 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.3 m -130.12 144.92 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.5 ppt_? -59.74 138.67 57.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -78.9 153.06 30.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.8 155.93 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.811 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.3 m -98.62 30.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.225 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -115.85 125.82 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p -114.14 174.18 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -81.85 123.1 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -92.76 168.13 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.43 130.39 46.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.94 26.99 17.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.569 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.02 173.71 6.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.43 118.56 31.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.5 p -146.01 134.99 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -102.09 164.7 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.954 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 14' ' ' TYR . 11.8 m -55.94 -50.67 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.577 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD1' HG21 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.79 26.99 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.583 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 53.3 p -64.69 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.07 -122.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.626 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 172.94 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -88.64 170.78 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.94 170.2 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.53 117.87 6.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.32 20.03 47.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 39.9 m-85 -140.03 132.45 28.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -116.36 178.33 4.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 t -114.27 118.2 33.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -112.88 134.79 54.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -79.01 175.19 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -71.9 -56.43 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -152.78 161.46 29.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.64 96.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.718 2.279 . . . . 0.0 112.162 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.04 -22.86 3.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.462 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -69.92 164.07 24.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.845 0.355 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.0 tt -115.1 -31.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.279 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.65 145.01 39.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.08 -153.75 6.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.51 151.46 46.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -91.84 126.65 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.0 m -130.04 160.17 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -68.52 151.73 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.794 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -97.48 118.94 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -123.88 179.58 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.935 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 t -83.17 152.91 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -115.26 165.5 12.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p -140.39 -178.01 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 mt -96.56 126.54 41.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -102.58 175.51 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 134.63 42.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.1 49.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.02 168.03 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -94.66 132.29 39.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 p -158.53 131.57 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -100.16 178.27 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 14' ' ' TYR . 16.3 m -66.46 -49.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.86 22.28 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.715 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.71 174.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.46 -125.8 0.11 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 161.57 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -72.52 -172.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.86 -177.44 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.95 175.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.27 116.29 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.29 20.11 59.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.665 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 14.2 m-85 -129.89 139.97 51.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 38' ' ' SER . 9.8 p90 -121.84 174.66 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -123.2 139.56 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -122.07 157.02 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.33 157.55 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -67.93 -54.62 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -160.15 162.49 24.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.51 99.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.602 2.202 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.09 40.66 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 p -106.0 169.97 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 111.026 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 34' ' ' PHE . 2.5 tp -113.47 -31.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' CD1' HG13 ' A' ' 33' ' ' ILE . 21.2 m-85 -134.24 150.81 51.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.91 -148.6 5.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.9 m -135.49 158.05 45.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.0 t -90.57 133.73 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 5.7 m -127.7 144.81 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.29 141.8 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -95.1 46.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -94.02 156.54 16.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.901 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.69 140.34 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.9 -172.97 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p -101.0 170.3 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 117.06 4.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 26.0 t80 -103.1 163.26 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 6.5 ptt180 -58.48 148.07 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.52 42.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.25 175.07 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -98.49 129.12 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -142.95 137.79 29.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.99 171.38 7.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 14' ' ' TYR . 13.5 m -62.96 -51.72 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.617 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD2' HG22 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.93 27.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.992 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -64.14 170.19 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.92 -124.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.308 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.07 150.65 24.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.89 176.23 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -69.9 172.9 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.6 m -58.68 160.58 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.1 118.6 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.29 -15.44 42.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.588 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 7' ' ' ARG . 6.1 m-85 -121.8 137.15 54.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -119.51 161.4 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -90.8 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -133.15 148.41 52.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -91.92 156.5 17.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -59.58 -69.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -145.4 162.72 35.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -47.78 99.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.574 2.183 . . . . 0.0 112.314 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.19 8.05 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.718 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -99.6 149.13 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.319 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.1 tt -102.86 -30.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.253 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 4.6 m-85 -113.72 145.79 40.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.186 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -140.8 3.29 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.1 m -143.32 145.11 32.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.11 140.36 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 m -130.1 172.96 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 ptm180 -89.46 136.24 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -82.78 83.3 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -99.06 32.23 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.936 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.7 m -98.57 31.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.13 118.82 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 p -102.76 -177.7 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -84.46 105.3 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.7 t80 -99.94 166.58 10.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.18 141.54 50.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.09 -26.0 21.95 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.89 164.82 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -93.73 153.73 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.06 138.38 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.95 160.88 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.98 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 14' ' ' TYR . 14.4 m -54.64 -48.11 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.517 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' HG22 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.63 25.48 2.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.814 -179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 p -66.18 170.02 6.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.312 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.79 -124.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.413 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.66 153.38 16.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 m -69.99 -178.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 m -70.05 -177.6 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.83 173.23 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.19 110.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.35 13.54 32.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.69 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 29.8 m-85 -140.1 153.27 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.82 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -137.33 165.94 24.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -90.05 127.07 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -111.13 155.87 22.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -93.96 167.04 11.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -79.05 -59.68 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.56 162.94 25.11 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.01 97.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.611 2.208 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.27 26.65 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.3 t -106.93 154.65 20.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.4 tt -107.06 -30.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.59 147.48 43.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -134.91 2.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.7 165.34 29.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.339 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.9 t -86.98 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -129.99 166.04 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 3.8 ptt180 -86.34 125.89 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -62.95 152.21 37.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.58 -174.39 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.913 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.817 0.342 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.32 152.96 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -158.08 104.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.2 p -108.91 -177.58 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -102.26 134.13 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.19 171.59 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 135.04 56.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.61 27.35 35.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.68 160.16 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -89.99 114.01 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 p -133.68 151.2 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.05 164.83 16.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' A' ' 14' ' ' TYR . 11.1 m -55.94 -51.27 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.673 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CD1' HG21 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.8 25.4 2.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.078 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 p -62.58 178.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.38 -123.82 0.19 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.304 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 157.11 16.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -69.97 175.28 4.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -69.94 -178.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.4 m -59.59 160.95 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -58.63 126.24 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.16 -20.09 49.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.68 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 4.6 m-85 -101.41 165.95 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CD1' ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -150.15 151.18 32.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.977 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -90.91 142.23 27.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -127.88 135.81 50.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 178.65 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -84.35 -52.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -155.2 161.89 28.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.67 92.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.733 2.289 . . . . 0.0 112.128 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.85 26.19 3.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.553 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 t -91.39 175.93 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 34' ' ' PHE . 1.5 tp -119.91 -34.96 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.291 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 14.4 m-85 -130.41 152.72 49.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.891 0.377 . . . . 0.0 111.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.86 5.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 m -130.87 148.9 52.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -85.06 129.35 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -130.14 174.76 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.0 142.97 27.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -93.35 44.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -124.07 106.91 10.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.887 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 11' ' ' CYS . 18.2 mt -83.16 135.67 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.6 t80 -102.5 170.15 8.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -58.19 135.89 57.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.22 27.26 52.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.56 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.71 160.72 18.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.07 130.81 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.789 ' HB3' HD13 ' A' ' 5' ' ' LEU . 9.7 p -147.32 128.04 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.99 164.87 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.552 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.4 m -55.94 -47.96 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.497 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.6 m-85 -90.67 24.3 2.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.761 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 24.6 p -68.7 -173.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.41 -126.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.386 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 -70.01 164.87 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.786 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -179.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.97 170.38 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.88 175.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.91 121.99 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.99 58.36 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.658 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 50.2 m-85 -140.02 151.22 45.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 2.2 p90 -142.21 167.38 22.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.6 t -105.78 137.24 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' CG ' ' CE2' ' A' ' 24' ' ' TYR . 5.0 mmm180 -122.63 142.58 50.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -70.01 161.4 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -72.69 -54.83 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 32' ' ' SER . 0.7 OUTLIER -156.09 163.01 26.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.0 92.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.568 2.179 . . . . 0.0 112.271 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.47 31.84 1.91 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.417 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 9.4 t -107.82 162.15 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.657 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.1 tt -110.15 -30.54 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.031 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.657 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.9 m-85 -114.84 154.34 28.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.814 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.96 -153.57 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 37' ' ' CYS . 25.8 m -136.06 163.14 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.436 ' N ' HG22 ' A' ' 36' ' ' THR . 37.8 t -96.21 125.97 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 34.0 m -130.02 152.57 49.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 15.1 ptt180 -65.77 129.59 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 6.5 ptm180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.87 0.367 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' ' 11' ' ' CYS . 56.9 mt -92.22 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -90.03 165.23 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.01 128.93 35.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.31 27.29 12.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.46 162.6 17.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.08 129.94 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.568 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.3 p -150.24 145.71 26.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.81 167.86 9.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.0 m -58.36 -48.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.334 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.534 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.79 23.05 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.799 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.4 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 21.7 p -57.75 164.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.753 0.311 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -123.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.321 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -59.38 157.67 10.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.719 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -69.9 175.22 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.93 -176.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.5 m -59.04 178.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.18 108.27 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.15 -20.03 38.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.76 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 61.9 m-85 -103.76 150.0 24.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 26' ' ' ARG . 6.9 p90 -134.1 177.4 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 t -96.78 135.92 38.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 9.1 mtm180 -119.18 144.81 46.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.76 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 48.4 m-20 -70.15 -49.01 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 1.7 p90 -153.59 162.0 27.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.93 96.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.689 2.259 . . . . 0.0 112.161 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.56 26.08 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.621 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -109.9 153.52 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.9 tt -101.61 -31.1 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.602 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -112.14 141.33 45.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -142.21 3.53 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 m -135.66 157.7 46.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.98 135.19 33.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -130.03 172.56 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.22 126.65 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.96 121.6 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -99.27 170.11 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.673 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.22 139.83 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.57 4.03 90.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.706 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.18 163.17 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 117.35 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.16 138.99 44.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -111.36 163.18 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.0 m -56.83 -47.99 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.503 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.5 m-85 -90.62 24.07 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.802 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 p -64.92 -170.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.44 -124.76 1.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 4.1 ptp180 -60.16 165.45 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 m -71.76 178.65 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.38 176.29 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.6 m -60.09 171.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.84 115.66 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.43 20.06 52.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 16.1 m-85 -134.56 145.09 48.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.312 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -127.96 166.36 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -113.75 136.78 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -131.29 132.34 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 166.38 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.72 -50.05 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.0 161.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.709 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.74 91.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.701 2.267 . . . . 0.0 112.052 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.07 -13.39 4.39 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.659 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.69 172.0 11.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.349 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.67 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.2 tt -116.97 -30.68 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.67 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.0 m-85 -118.25 149.05 41.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 111.11 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -149.4 5.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 155.17 51.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -92.95 136.19 33.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 m -130.06 165.43 22.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -84.97 126.27 33.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.803 0.335 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 11' ' ' CYS . 23.5 mt -89.53 121.34 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -94.54 171.74 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 132.86 54.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.19 27.26 23.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.59 166.13 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.72 115.18 26.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.748 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.4 p -135.61 134.81 39.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 173.96 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.1 m -70.62 -42.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.571 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.3 20.64 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.77 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.49 179.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.811 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -126.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 162.08 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -74.34 179.56 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -70.0 -179.66 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 m -60.69 172.19 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.73 123.53 17.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.54 85.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.751 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.6 m-85 -107.09 147.89 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.804 0.335 . . . . 0.0 110.796 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.48 174.7 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 t -126.13 110.11 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 153.98 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.16 170.1 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.02 -51.41 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -160.02 160.33 26.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.8 98.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.673 2.249 . . . . 0.0 112.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.15 27.15 2.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.91 163.55 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.643 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.7 tt -110.5 -31.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.643 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -112.35 164.81 12.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -160.96 9.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -130.46 146.74 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -85.16 125.71 33.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -130.07 155.15 46.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 19.3 ptt180 -78.56 150.61 32.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' A' ' 11' ' ' CYS . 22.6 mt -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.2 t80 -97.88 167.83 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.69 27.84 25.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.84 166.37 12.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 126.76 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.705 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.2 p -150.33 131.56 14.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.3 164.29 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.8 m -57.18 -46.68 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.342 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.5 23.78 2.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.752 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 t -67.45 -177.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -127.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -63.52 159.99 17.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.04 179.6 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.94 177.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.64 170.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 21' ' ' PHE . 36.2 p90 -58.13 120.62 8.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 20.02 57.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 18.8 m-85 -136.59 142.85 43.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -122.15 174.48 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -116.74 116.76 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -108.09 131.23 54.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.03 168.18 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 40.7 m-20 -58.97 -55.35 36.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.2 p90 -153.62 163.28 24.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.6 95.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.63 30.19 3.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 t -100.77 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.519 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -118.62 -34.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' HD1' HG23 ' A' ' 33' ' ' ILE . 13.4 m-85 -128.05 149.29 50.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.12 -151.88 5.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.424 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -130.05 151.17 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.67 131.12 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -130.07 153.46 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 9.0 ptt-85 -67.06 157.64 33.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 41.0 ttt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 11' ' ' CYS . 24.2 mt -78.92 137.12 37.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 3.6 t80 -113.03 178.16 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -53.77 131.55 39.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.078 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.65 46.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.83 156.57 19.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.044 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.86 135.12 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.613 ' HB3' HD13 ' A' ' 5' ' ' LEU . 11.8 p -152.59 136.58 16.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.73 166.92 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.2 m -55.15 -50.96 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.523 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.79 26.28 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.813 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 p -63.94 167.24 6.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.01 -125.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 152.02 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.02 -177.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 m -70.06 -178.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.77 170.58 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -58.98 116.53 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.15 14.13 46.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.788 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 74.0 m-85 -140.05 146.07 38.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -134.8 173.42 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -101.94 150.0 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -140.06 136.94 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.01 179.09 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.99 -53.61 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -159.66 160.7 27.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.86 99.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.798 2.332 . . . . 0.0 112.09 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.29 25.47 3.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.1 p -107.49 172.71 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 34' ' ' PHE . 20.3 tt -120.03 -46.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.492 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.8 m-30 -103.83 153.71 20.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 111.03 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -150.52 5.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -133.2 175.54 9.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.949 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' H ' HG22 ' A' ' 36' ' ' THR . 34.3 t -106.61 135.12 48.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.9 m -130.11 151.48 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.8 ptt180 -66.47 129.48 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.82 0.343 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 11' ' ' CYS . 21.9 mt -95.58 121.93 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.1 177.19 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 138.32 54.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.94 27.72 57.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.32 162.13 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 128.39 36.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.567 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.8 p -152.44 133.7 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -105.42 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.525 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.7 m -61.24 -50.45 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.392 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.8 22.61 3.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.803 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -179.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.32 -125.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.365 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.38 171.41 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 m -70.03 175.17 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.98 -176.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.3 m -66.13 176.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.85 117.98 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.15 4.85 66.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.913 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.7 m-85 -127.78 140.2 52.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 110.722 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.7 p90 -120.08 -177.83 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -127.63 111.73 14.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.453 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 1.7 mmp_? -108.88 144.19 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -71.7 169.87 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -75.01 -72.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.04 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -137.33 161.08 62.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.784 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.21 103.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.668 2.245 . . . . 0.0 112.05 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.79 23.13 4.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.3 t -109.93 166.08 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.639 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.3 tt -114.44 -30.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.639 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.8 m-85 -110.25 156.81 20.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 111.211 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.98 -156.1 7.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -135.71 160.79 37.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -96.41 127.4 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 m -129.96 148.76 51.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.6 mtm105 -57.78 146.14 32.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.817 0.341 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.5 141.28 46.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 5.9 t80 -110.71 168.85 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.438 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -50.01 136.06 19.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.48 27.06 37.02 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 36' ' ' THR . . . -115.88 158.73 22.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.95 123.65 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -144.23 133.88 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.92 161.74 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.531 HG23 ' CG ' ' A' ' 14' ' ' TYR . 12.2 m -52.74 -48.92 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.676 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.6 m-85 -90.59 25.9 2.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.922 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -65.44 171.4 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.84 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -124.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.322 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.44 161.34 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.763 0.316 . . . . 0.0 110.787 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -70.05 178.31 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.01 -177.45 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.788 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.15 175.25 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.7 118.98 6.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 19.99 58.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.637 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 21.3 m-85 -137.48 145.45 43.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -131.18 -178.14 4.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.7 t -112.91 121.62 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -110.76 133.62 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 157.95 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.49 -65.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -145.32 162.99 34.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -47.79 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.539 2.16 . . . . 0.0 112.364 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.87 24.79 3.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.583 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.1 m -107.08 153.26 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.775 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.641 HG23 ' HD1' ' A' ' 34' ' ' PHE . 11.4 tt -107.62 -30.87 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.641 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.4 m-85 -116.47 143.4 45.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.978 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -145.0 4.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 9' ' ' ALA . 20.7 m -137.54 155.38 49.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.8 t -79.47 133.07 36.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 142.24 50.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.26 158.55 19.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 4.1 mmm-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 11' ' ' CYS . 34.9 mt -102.51 140.95 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -114.23 176.57 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 131.95 51.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.87 31.38 23.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.28 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.98 129.53 36.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.761 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.1 p -155.81 133.13 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.98 177.69 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.514 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.2 m -63.44 -51.57 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.328 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.5 m-85 -90.98 22.71 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.792 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -179.92 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -125.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.357 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.3 167.1 20.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.807 0.337 . . . . 0.0 110.802 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -70.0 177.52 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 m -70.01 -177.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.3 m -69.18 174.81 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -64.14 121.62 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.83 10.01 61.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.744 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 39' ' ' ARG . 14.5 m-85 -137.64 161.71 35.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -150.12 160.64 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.7 t -90.04 149.05 22.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -140.06 142.51 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -80.26 159.99 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.5 m-20 -66.31 -50.61 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.5 p90 -159.97 161.08 26.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.29 92.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.41 33.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -106.49 173.82 6.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.585 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.6 tp -116.92 -31.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.585 ' HD1' HG23 ' A' ' 33' ' ' ILE . 20.1 m-85 -134.11 153.39 51.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.06 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.74 -146.53 4.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -133.4 164.17 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -95.65 131.12 42.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -130.0 164.04 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.75 133.47 44.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 26.5 ptt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 11' ' ' CYS . 35.5 mt -74.65 112.75 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.5 t80 -101.38 170.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.28 135.81 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.007 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.57 36.32 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.375 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.81 153.26 33.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -89.89 117.41 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.526 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.4 p -130.62 129.86 43.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 162.06 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.052 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.2 m -54.61 -46.88 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.514 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.64 24.07 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.734 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 7.1 t -69.47 -175.93 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.776 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.78 -125.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 174.98 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.778 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -70.03 177.36 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.95 -178.91 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.7 m -63.61 173.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.01 114.9 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -0.47 60.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.804 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.495 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 5.3 m-85 -125.22 154.75 41.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -138.06 179.92 6.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.51 116.89 32.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.659 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.95 129.01 45.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 148.4 35.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -55.67 -57.16 13.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.993 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -159.96 162.49 24.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.49 92.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.6 1.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 p -104.26 177.37 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.813 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.05 -35.73 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HD1' HG23 ' A' ' 33' ' ' ILE . 12.4 m-85 -127.89 155.67 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.45 -153.01 5.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -135.38 159.04 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.9 t -95.99 129.24 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.0 m -130.11 171.52 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.5 mtm-85 -71.38 154.26 41.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.832 0.348 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 11' ' ' CYS . 4.9 mt -78.57 115.85 18.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -93.18 167.02 12.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -62.01 133.33 55.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.0 -15.95 30.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.748 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.01 178.33 6.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.49 151.33 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.985 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.4 p -160.06 132.16 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 168.36 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.059 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 33' ' ' ILE . 7.6 m -52.55 -52.93 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.081 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.485 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.4 m-85 -90.53 24.55 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.115 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -64.96 178.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 110.75 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.229 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.28 163.52 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.657 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -69.96 179.77 2.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.768 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m -69.99 174.78 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.73 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 m -59.43 166.88 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.22 116.93 4.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.68 -20.12 45.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.7 m-85 -107.86 141.81 38.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -112.89 -179.16 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -130.98 125.75 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -126.28 144.72 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HA ' ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -69.95 166.11 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -57.58 -61.99 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.63 160.77 37.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.9 90.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.624 2.216 . . . . 0.0 112.111 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.01 -9.31 4.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.799 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.51 171.39 14.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.3 tt -111.87 -30.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.4 m-85 -112.54 159.09 19.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.983 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 27' ' ' ARG . . . -150.14 -147.23 4.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.42 165.33 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -92.55 127.95 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 m -130.07 161.36 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -83.26 138.94 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 6.0 mt -76.34 109.28 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.3 170.02 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 140.34 52.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.71 26.87 31.01 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.99 176.09 6.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -96.39 127.64 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.76 128.15 13.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.91 161.9 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 14' ' ' TYR . 8.8 m -53.67 -49.79 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.529 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.65 25.74 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t -65.51 172.38 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 110.677 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.77 -125.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.46 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 159.1 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -70.02 175.65 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -69.86 178.0 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.57 169.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.062 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -59.12 132.96 55.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 12.88 79.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.617 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 24.9 m-85 -140.22 127.57 21.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.55 0.214 . . . . 0.0 110.696 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 4.2 p90 -117.85 171.76 7.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.86 152.51 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -131.27 143.05 50.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -83.24 150.41 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.742 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 61.2 m-20 -58.51 -57.21 13.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 11.4 p90 -159.77 162.31 25.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.803 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.79 96.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.533 2.155 . . . . 0.0 112.383 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 25.36 3.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.98 163.69 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.662 HG23 ' HD1' ' A' ' 34' ' ' PHE . 12.1 tt -112.65 -29.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.662 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.2 m-85 -119.77 145.31 46.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.875 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.14 -151.33 5.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.648 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -125.82 153.02 44.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.998 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.37 137.57 33.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 m -130.14 177.25 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.54 156.41 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.6 mmt180 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 11' ' ' CYS . 73.9 mt -88.74 126.33 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -92.87 169.0 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -59.43 135.04 57.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.9 26.57 28.82 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.3 170.02 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -97.31 127.42 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.657 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.1 p -151.89 136.78 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 6.3 ptt180 -99.98 175.51 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.0 m -70.35 -42.74 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.36 18.77 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.56 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.402 ' CB ' ' HG3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -67.74 174.31 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.863 0.364 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.12 -125.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.367 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.48 159.95 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 m -69.98 -177.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.88 -176.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.9 177.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.87 113.74 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.03 -14.84 31.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.796 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 2.7 m-85 -123.71 145.75 48.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.757 0.313 . . . . 0.0 110.864 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -118.38 -178.03 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -111.97 118.62 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -111.77 147.46 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.88 173.79 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -73.23 -51.56 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 6.7 p90 -159.98 160.17 27.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.787 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.07 92.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.14 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.15 36.81 0.68 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.436 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -108.76 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.605 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.1 tp -111.58 -31.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.605 ' HD1' HG23 ' A' ' 33' ' ' ILE . 26.7 m-85 -139.16 159.66 41.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 0.0 111.017 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -149.88 5.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.458 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 m -132.56 163.32 29.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 t -94.61 133.84 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 m -130.05 158.02 40.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 11' ' ' CYS . 23.8 mt -109.42 114.63 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.41 173.37 8.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.784 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 134.17 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.36 24.84 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.49 159.79 25.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.838 0.352 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -90.7 130.65 36.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.613 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.3 p -147.18 129.22 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.1 161.32 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 17.1 m -52.74 -45.67 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.523 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.0 m-85 -90.61 22.34 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.637 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.418 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 83.0 p -63.56 175.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 110.757 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.97 -124.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.34 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 168.83 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.755 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 m -71.73 178.08 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.9 -178.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.6 m -60.86 178.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -64.62 120.66 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.53 66.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.632 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 17.7 m-85 -134.43 140.78 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.667 0.27 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 2.0 p90 -125.68 163.61 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.06 124.01 46.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.74 144.71 37.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -85.37 156.84 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 71.3 m-20 -59.37 -51.11 71.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.6 p90 -157.46 160.95 30.05 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.759 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.55 99.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.634 2.223 . . . . 0.0 112.127 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.1 26.93 3.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.537 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.406 ' OG ' ' CD2' ' A' ' 29' ' ' PHE . 50.0 m -106.23 168.18 9.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.652 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.4 tt -113.42 -30.81 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.652 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.5 m-85 -119.3 146.53 45.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.028 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.19 -149.38 4.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.367 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.98 158.48 44.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -87.34 136.73 32.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -130.03 148.95 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 8.0 ptt180 -66.84 135.21 53.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 61.6 ttt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 11' ' ' CYS . 76.5 mt -75.15 119.16 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.99 169.92 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -57.17 133.24 54.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.05 24.67 47.64 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.51 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.52 162.59 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -90.02 127.37 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.73 ' HB3' HD13 ' A' ' 5' ' ' LEU . 14.6 p -147.03 138.47 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.8 167.43 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG12 HH21 ' A' ' 27' ' ' ARG . 12.4 m -56.73 -50.53 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.379 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.516 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.7 m-85 -90.83 23.37 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.724 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -57.7 -179.92 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.752 0.311 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.78 -125.93 0.2 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.382 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.42 161.53 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.804 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -69.99 175.27 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.07 178.24 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.1 173.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.1 114.77 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.55 20.06 35.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.677 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 89.5 m-85 -134.31 143.14 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.98 169.89 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -133.26 127.9 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -131.29 155.67 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.522 HH21 HG12 ' A' ' 13' ' ' VAL . 1.5 ptp85 -78.12 -179.83 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.31 -59.85 2.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 3.0 p90 -146.77 162.16 34.71 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 6.9 Cg_endo -49.24 100.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.824 2.35 . . . . 0.0 112.088 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.41 24.86 3.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.573 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -109.55 163.63 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.9 tt -116.97 -30.7 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.355 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.7 m-85 -113.43 148.27 36.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.203 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -148.69 4.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -136.08 164.75 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -107.17 129.49 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.3 m -130.12 144.92 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.5 ppt_? -59.74 138.67 57.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 11' ' ' CYS . 86.1 mt -81.85 123.1 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.9 t80 -92.76 168.13 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.411 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -59.43 130.39 46.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.94 26.99 17.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.569 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.02 173.71 6.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.43 118.56 31.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HB3' HD13 ' A' ' 5' ' ' LEU . 29.5 p -146.01 134.99 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -102.09 164.7 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.954 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.8 m -55.94 -50.67 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.577 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.79 26.99 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.583 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 53.3 p -64.69 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.07 -122.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.626 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 172.94 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -88.64 170.78 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.94 170.2 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.53 117.87 6.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.32 20.03 47.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 39.9 m-85 -140.03 132.45 28.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -116.36 178.33 4.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 t -114.27 118.2 33.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -112.88 134.79 54.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -79.01 175.19 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -71.9 -56.43 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 5.0 p90 -152.78 161.46 29.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 9.3 Cg_endo -50.64 96.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.718 2.279 . . . . 0.0 112.162 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.04 -22.86 3.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.462 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -69.92 164.07 24.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.845 0.355 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.606 HG23 ' HD1' ' A' ' 34' ' ' PHE . 11.0 tt -115.1 -31.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.606 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -111.65 145.01 39.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.08 -153.75 6.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.51 151.46 46.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -91.84 126.65 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.0 m -130.04 160.17 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -68.52 151.73 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.794 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 11' ' ' CYS . 40.2 mt -96.56 126.54 41.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.5 t80 -102.58 175.51 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.87 134.63 42.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.1 49.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 5' ' ' LEU . . . -108.02 168.03 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -94.66 132.29 39.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.58 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.4 p -158.53 131.57 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -100.16 178.27 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.3 m -66.46 -49.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.86 22.28 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.715 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -59.71 174.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.46 -125.8 0.11 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 161.57 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -72.52 -172.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.86 -177.44 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.95 175.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.27 116.29 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.29 20.11 59.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.665 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 14.2 m-85 -129.89 139.97 51.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 38' ' ' SER . 9.8 p90 -121.84 174.66 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -123.2 139.56 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -122.07 157.02 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.33 157.55 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -67.93 -54.62 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -160.15 162.49 24.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.51 99.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.602 2.202 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.09 40.66 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 p -106.0 169.97 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 111.026 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.581 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.5 tp -113.47 -31.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.581 ' HD1' HG23 ' A' ' 33' ' ' ILE . 21.2 m-85 -134.24 150.81 51.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.91 -148.6 5.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.9 m -135.49 158.05 45.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.0 t -90.57 133.73 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 5.7 m -127.7 144.81 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.29 141.8 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.816 0.341 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 117.06 4.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 26.0 t80 -103.1 163.26 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.5 ptt180 -58.48 148.07 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.52 42.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 36' ' ' THR . . . -125.25 175.07 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -98.49 129.12 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -142.95 137.79 29.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.99 171.38 7.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.509 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.5 m -62.96 -51.72 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.617 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.509 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.93 27.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.992 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -64.14 170.19 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.92 -124.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.308 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.07 150.65 24.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.89 176.23 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -69.9 172.9 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.6 m -58.68 160.58 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.1 118.6 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.29 -15.44 42.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.588 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 6.1 m-85 -121.8 137.15 54.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -119.51 161.4 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -90.8 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -133.15 148.41 52.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -91.92 156.5 17.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 17.2 m-20 -59.58 -69.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 8.7 p90 -145.4 162.72 35.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 81.1 Cg_exo -47.78 99.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.574 2.183 . . . . 0.0 112.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.19 8.05 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.718 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -99.6 149.13 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.319 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.632 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.1 tt -102.86 -30.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.253 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.632 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.6 m-85 -113.72 145.79 40.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.186 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -140.8 3.29 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 9' ' ' ALA . 56.1 m -143.32 145.11 32.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.11 140.36 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 m -130.1 172.96 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.5 ptm180 -89.46 136.24 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -84.46 105.3 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.7 t80 -99.94 166.58 10.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.18 141.54 50.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.09 -26.0 21.95 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.89 164.82 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -93.73 153.73 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.06 138.38 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.95 160.88 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.98 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.544 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.4 m -54.64 -48.11 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.517 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.544 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.63 25.48 2.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.814 -179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 30.2 p -66.18 170.02 6.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.312 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.79 -124.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.413 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.66 153.38 16.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 m -69.99 -178.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 m -70.05 -177.6 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.83 173.23 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.19 110.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.35 13.54 32.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.69 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 29.8 m-85 -140.1 153.27 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.82 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -137.33 165.94 24.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -90.05 127.07 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -111.13 155.87 22.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.521 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 6.5 mtt180 -93.96 167.04 11.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -79.05 -59.68 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.56 162.94 25.11 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.01 97.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.611 2.208 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.27 26.65 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.3 t -106.93 154.65 20.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.4 tt -107.06 -30.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.0 m-85 -118.59 147.48 43.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -134.91 2.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.7 165.34 29.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.339 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.9 t -86.98 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -129.99 166.04 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 3.8 ptt180 -86.34 125.89 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -102.26 134.13 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.19 171.59 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 135.04 56.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.61 27.35 35.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.68 160.16 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -89.99 114.01 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 p -133.68 151.2 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.05 164.83 16.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 14' ' ' TYR . 11.1 m -55.94 -51.27 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.673 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.8 25.4 2.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.078 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 p -62.58 178.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.38 -123.82 0.19 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.304 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 157.11 16.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -69.97 175.28 4.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -69.94 -178.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.4 m -59.59 160.95 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -58.63 126.24 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.16 -20.09 49.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.68 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 4.6 m-85 -101.41 165.95 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CD1' ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -150.15 151.18 32.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.977 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -90.91 142.23 27.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -127.88 135.81 50.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 178.65 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -84.35 -52.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -155.2 161.89 28.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.67 92.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.733 2.289 . . . . 0.0 112.128 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.85 26.19 3.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.553 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 t -91.39 175.93 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' HD1' ' A' ' 34' ' ' PHE . 1.5 tp -119.91 -34.96 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.291 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.545 ' HD1' HG23 ' A' ' 33' ' ' ILE . 14.4 m-85 -130.41 152.72 49.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.891 0.377 . . . . 0.0 111.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.86 5.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 m -130.87 148.9 52.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -85.06 129.35 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -130.14 174.76 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.0 142.97 27.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.809 0.338 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 3' ' ' SER . 11.1 p -118.96 -41.1 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.422 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.2 m -73.57 169.57 16.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p -136.44 169.26 17.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 11' ' ' CYS . 18.2 mt -83.16 135.67 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.6 t80 -102.5 170.15 8.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -58.19 135.89 57.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.22 27.26 52.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.56 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.71 160.72 18.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.07 130.81 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.789 ' HB3' HD13 ' A' ' 5' ' ' LEU . 9.7 p -147.32 128.04 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.99 164.87 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.552 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.4 m -55.94 -47.96 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.497 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.6 m-85 -90.67 24.3 2.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.761 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 24.6 p -68.7 -173.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.41 -126.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.386 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 -70.01 164.87 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.786 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -179.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.97 170.38 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.88 175.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.91 121.99 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.99 58.36 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.658 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 50.2 m-85 -140.02 151.22 45.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 2.2 p90 -142.21 167.38 22.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.6 t -105.78 137.24 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' CG ' ' CE2' ' A' ' 24' ' ' TYR . 5.0 mmm180 -122.63 142.58 50.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -70.01 161.4 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -72.69 -54.83 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 32' ' ' SER . 0.7 OUTLIER -156.09 163.01 26.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.0 92.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.568 2.179 . . . . 0.0 112.271 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.47 31.84 1.91 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.417 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 9.4 t -107.82 162.15 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.657 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.1 tt -110.15 -30.54 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.031 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.657 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.9 m-85 -114.84 154.34 28.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.814 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.96 -153.57 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 37' ' ' CYS . 25.8 m -136.06 163.14 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.436 ' N ' HG22 ' A' ' 36' ' ' THR . 37.8 t -96.21 125.97 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 34.0 m -130.02 152.57 49.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 15.1 ptt180 -65.77 129.59 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 6.5 ptm180 -82.41 58.61 4.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -89.47 99.54 12.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 3' ' ' SER . 28.2 m -62.71 -45.21 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 2' ' ' VAL . 3.3 m -174.92 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p -123.83 176.79 6.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' ' 11' ' ' CYS . 56.9 mt -92.22 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -90.03 165.23 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.01 128.93 35.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.31 27.29 12.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.46 162.6 17.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.08 129.94 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.568 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.3 p -150.24 145.71 26.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.81 167.86 9.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.0 m -58.36 -48.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.334 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.534 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.79 23.05 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.799 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.4 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 21.7 p -57.75 164.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.753 0.311 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -123.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.321 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -59.38 157.67 10.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.719 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -69.9 175.22 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.93 -176.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.5 m -59.04 178.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.18 108.27 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.15 -20.03 38.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.76 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 61.9 m-85 -103.76 150.0 24.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 26' ' ' ARG . 6.9 p90 -134.1 177.4 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 t -96.78 135.92 38.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 9.1 mtm180 -119.18 144.81 46.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.76 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 48.4 m-20 -70.15 -49.01 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 1.7 p90 -153.59 162.0 27.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.93 96.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.689 2.259 . . . . 0.0 112.161 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.56 26.08 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.621 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -109.9 153.52 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.9 tt -101.61 -31.1 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.602 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -112.14 141.33 45.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -142.21 3.53 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 m -135.66 157.7 46.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.98 135.19 33.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -130.03 172.56 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.22 126.65 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 161.84 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -71.97 165.38 24.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.923 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.901 ' CD2' HG22 ' A' ' 2' ' ' VAL . 4.1 p90 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.747 0.308 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.901 HG22 ' CD2' ' A' ' 1' ' ' TYR . 34.3 m -144.59 134.4 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -146.76 170.23 17.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -99.63 162.62 12.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.96 121.6 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -99.27 170.11 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.673 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.22 139.83 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.57 4.03 90.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.706 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.18 163.17 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 117.35 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.16 138.99 44.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -111.36 163.18 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.0 m -56.83 -47.99 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.503 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.5 m-85 -90.62 24.07 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.802 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 p -64.92 -170.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.44 -124.76 1.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 4.1 ptp180 -60.16 165.45 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 m -71.76 178.65 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.38 176.29 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.6 m -60.09 171.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.84 115.66 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.43 20.06 52.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 16.1 m-85 -134.56 145.09 48.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.312 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -127.96 166.36 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -113.75 136.78 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -131.29 132.34 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 166.38 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.72 -50.05 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.0 161.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.709 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.74 91.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.701 2.267 . . . . 0.0 112.052 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.07 -13.39 4.39 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.659 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.69 172.0 11.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.349 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.67 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.2 tt -116.97 -30.68 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.67 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.0 m-85 -118.25 149.05 41.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 111.11 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -149.4 5.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 155.17 51.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -92.95 136.19 33.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 m -130.06 165.43 22.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -84.97 126.27 33.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -35.43 80.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.98 119.35 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.895 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.808 0.337 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 2' ' ' VAL . 23.1 m -94.32 101.15 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.1 154.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -97.23 172.84 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 11' ' ' CYS . 23.5 mt -89.53 121.34 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -94.54 171.74 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 132.86 54.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.19 27.26 23.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.59 166.13 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.72 115.18 26.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.748 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.4 p -135.61 134.81 39.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 173.96 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.1 m -70.62 -42.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.571 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.3 20.64 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.77 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.49 179.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.811 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -126.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 162.08 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -74.34 179.56 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -70.0 -179.66 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 m -60.69 172.19 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.73 123.53 17.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.54 85.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.751 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.6 m-85 -107.09 147.89 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.804 0.335 . . . . 0.0 110.796 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.48 174.7 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 t -126.13 110.11 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 153.98 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.16 170.1 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.02 -51.41 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -160.02 160.33 26.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.8 98.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.673 2.249 . . . . 0.0 112.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.15 27.15 2.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.91 163.55 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.643 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.7 tt -110.5 -31.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.643 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -112.35 164.81 12.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -160.96 9.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -130.46 146.74 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -85.16 125.71 33.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -130.07 155.15 46.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 19.3 ptt180 -78.56 150.61 32.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -66.22 129.19 38.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.905 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -100.04 142.84 30.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.793 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.1 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.87 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.806 0.336 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.0 m -99.83 30.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 121.29 20.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p -144.76 177.22 8.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' A' ' 11' ' ' CYS . 22.6 mt -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.2 t80 -97.88 167.83 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.69 27.84 25.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.84 166.37 12.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 126.76 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.705 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.2 p -150.33 131.56 14.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.3 164.29 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.8 m -57.18 -46.68 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.342 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.5 23.78 2.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.752 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 t -67.45 -177.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -127.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -63.52 159.99 17.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.04 179.6 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.94 177.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.64 170.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 21' ' ' PHE . 36.2 p90 -58.13 120.62 8.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 20.02 57.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 18.8 m-85 -136.59 142.85 43.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -122.15 174.48 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -116.74 116.76 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -108.09 131.23 54.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.03 168.18 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 40.7 m-20 -58.97 -55.35 36.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.2 p90 -153.62 163.28 24.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.6 95.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.63 30.19 3.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 t -100.77 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.519 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -118.62 -34.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' HD1' HG23 ' A' ' 33' ' ' ILE . 13.4 m-85 -128.05 149.29 50.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.12 -151.88 5.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.424 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -130.05 151.17 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.67 131.12 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -130.07 153.46 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 9.0 ptt-85 -67.06 157.64 33.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 41.0 ttt180 -85.25 -66.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.33 175.33 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.937 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.0 t -86.88 -61.19 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.1 p -61.41 107.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.11 157.47 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 11' ' ' CYS . 24.2 mt -78.92 137.12 37.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 3.6 t80 -113.03 178.16 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -53.77 131.55 39.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.078 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.65 46.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.83 156.57 19.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.044 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.86 135.12 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.613 ' HB3' HD13 ' A' ' 5' ' ' LEU . 11.8 p -152.59 136.58 16.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.73 166.92 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.2 m -55.15 -50.96 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.523 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.79 26.28 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.813 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 p -63.94 167.24 6.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.01 -125.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 152.02 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.02 -177.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 m -70.06 -178.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.77 170.58 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -58.98 116.53 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.15 14.13 46.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.788 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 74.0 m-85 -140.05 146.07 38.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -134.8 173.42 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -101.94 150.0 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -140.06 136.94 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.01 179.09 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.99 -53.61 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -159.66 160.7 27.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.86 99.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.798 2.332 . . . . 0.0 112.09 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.29 25.47 3.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.1 p -107.49 172.71 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 34' ' ' PHE . 20.3 tt -120.03 -46.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.492 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.8 m-30 -103.83 153.71 20.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 111.03 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -150.52 5.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -133.2 175.54 9.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.949 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' H ' HG22 ' A' ' 36' ' ' THR . 34.3 t -106.61 135.12 48.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.9 m -130.11 151.48 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.8 ptt180 -66.47 129.48 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 77.2 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -141.28 35.28 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.4 m -145.98 168.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.02 -171.34 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p -90.03 176.21 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 11' ' ' CYS . 21.9 mt -95.58 121.93 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.1 177.19 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 138.32 54.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.94 27.72 57.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.32 162.13 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 128.39 36.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.567 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.8 p -152.44 133.7 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -105.42 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.7 m -61.24 -50.45 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.392 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.8 22.61 3.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.803 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -179.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.32 -125.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.365 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.38 171.41 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 m -70.03 175.17 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.98 -176.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.3 m -66.13 176.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.85 117.98 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.15 4.85 66.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.913 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.7 m-85 -127.78 140.2 52.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 110.722 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.7 p90 -120.08 -177.83 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -127.63 111.73 14.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.453 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 1.7 mmp_? -108.88 144.19 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -71.7 169.87 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -75.01 -72.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.04 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -137.33 161.08 62.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.784 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.21 103.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.668 2.245 . . . . 0.0 112.05 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.79 23.13 4.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.3 t -109.93 166.08 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.639 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.3 tt -114.44 -30.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.639 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.8 m-85 -110.25 156.81 20.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 111.211 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.98 -156.1 7.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -135.71 160.79 37.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -96.41 127.4 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 m -129.96 148.76 51.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.6 mtm105 -57.78 146.14 32.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -81.08 123.11 28.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.16 162.54 26.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.83 0.348 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 3' ' ' SER . 21.5 t -126.31 158.07 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -167.43 179.94 4.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.56 -176.98 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.5 141.28 46.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 5.9 t80 -110.71 168.85 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.438 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -50.01 136.06 19.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.48 27.06 37.02 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 36' ' ' THR . . . -115.88 158.73 22.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.95 123.65 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -144.23 133.88 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.92 161.74 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG23 ' CG ' ' A' ' 14' ' ' TYR . 12.2 m -52.74 -48.92 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.676 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.6 m-85 -90.59 25.9 2.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.922 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -65.44 171.4 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.84 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -124.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.322 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.44 161.34 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.763 0.316 . . . . 0.0 110.787 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -70.05 178.31 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.01 -177.45 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.788 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.15 175.25 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.7 118.98 6.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 19.99 58.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.637 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 21.3 m-85 -137.48 145.45 43.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -131.18 -178.14 4.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.7 t -112.91 121.62 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -110.76 133.62 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 157.95 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.49 -65.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -145.32 162.99 34.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -47.79 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.539 2.16 . . . . 0.0 112.364 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.87 24.79 3.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.583 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.1 m -107.08 153.26 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.775 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.641 HG23 ' HD1' ' A' ' 34' ' ' PHE . 11.4 tt -107.62 -30.87 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.641 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.4 m-85 -116.47 143.4 45.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.978 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -145.0 4.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 9' ' ' ALA . 20.7 m -137.54 155.38 49.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.8 t -79.47 133.07 36.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 142.24 50.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.26 158.55 19.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 4.1 mmm-85 -79.2 153.58 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -159.44 84.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 2' ' ' VAL . 10.2 p -71.12 68.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 p -100.43 124.39 45.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p -126.34 -179.75 4.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 11' ' ' CYS . 34.9 mt -102.51 140.95 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -114.23 176.57 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 131.95 51.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.87 31.38 23.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.28 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.98 129.53 36.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.761 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.1 p -155.81 133.13 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.98 177.69 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.514 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.2 m -63.44 -51.57 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.328 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.5 m-85 -90.98 22.71 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.792 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -179.92 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -125.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.357 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.3 167.1 20.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.807 0.337 . . . . 0.0 110.802 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -70.0 177.52 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 m -70.01 -177.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.3 m -69.18 174.81 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -64.14 121.62 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.83 10.01 61.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.744 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 39' ' ' ARG . 14.5 m-85 -137.64 161.71 35.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -150.12 160.64 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.7 t -90.04 149.05 22.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -140.06 142.51 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -80.26 159.99 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.5 m-20 -66.31 -50.61 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.5 p90 -159.97 161.08 26.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.29 92.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.41 33.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -106.49 173.82 6.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.585 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.6 tp -116.92 -31.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.585 ' HD1' HG23 ' A' ' 33' ' ' ILE . 20.1 m-85 -134.11 153.39 51.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.06 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.74 -146.53 4.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -133.4 164.17 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -95.65 131.12 42.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -130.0 164.04 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.75 133.47 44.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 26.5 ptt85 -92.64 126.03 37.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -125.26 124.17 41.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.93 179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -81.87 -25.45 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.238 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -126.38 46.48 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.4 p -107.43 172.74 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 11' ' ' CYS . 35.5 mt -74.65 112.75 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.5 t80 -101.38 170.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.28 135.81 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.007 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.57 36.32 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.375 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.81 153.26 33.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -89.89 117.41 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.526 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.4 p -130.62 129.86 43.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 162.06 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.052 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.2 m -54.61 -46.88 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.514 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.64 24.07 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.734 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 7.1 t -69.47 -175.93 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.776 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.78 -125.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 174.98 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.778 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -70.03 177.36 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.95 -178.91 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.7 m -63.61 173.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.01 114.9 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -0.47 60.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.804 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.495 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 5.3 m-85 -125.22 154.75 41.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -138.06 179.92 6.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.51 116.89 32.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.659 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.95 129.01 45.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 148.4 35.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -55.67 -57.16 13.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.993 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -159.96 162.49 24.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.49 92.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.6 1.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 p -104.26 177.37 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.813 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.05 -35.73 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HD1' HG23 ' A' ' 33' ' ' ILE . 12.4 m-85 -127.89 155.67 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.45 -153.01 5.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -135.38 159.04 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.9 t -95.99 129.24 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.0 m -130.11 171.52 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.5 mtm-85 -71.38 154.26 41.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.8 OUTLIER -83.96 -31.17 25.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -79.81 160.32 26.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.3 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.855 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.87 147.37 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 t -91.93 112.61 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.9 p -121.99 172.04 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 11' ' ' CYS . 4.9 mt -78.57 115.85 18.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -93.18 167.02 12.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -62.01 133.33 55.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.0 -15.95 30.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.748 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.01 178.33 6.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.49 151.33 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.985 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.4 p -160.06 132.16 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 168.36 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.059 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 33' ' ' ILE . 7.6 m -52.55 -52.93 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.081 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.485 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.4 m-85 -90.53 24.55 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.115 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -64.96 178.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 110.75 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.229 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.28 163.52 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.657 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -69.96 179.77 2.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.768 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m -69.99 174.78 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.73 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 m -59.43 166.88 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.22 116.93 4.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.68 -20.12 45.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.7 m-85 -107.86 141.81 38.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -112.89 -179.16 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -130.98 125.75 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -126.28 144.72 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HA ' ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -69.95 166.11 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -57.58 -61.99 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.63 160.77 37.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.9 90.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.624 2.216 . . . . 0.0 112.111 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.01 -9.31 4.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.799 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.51 171.39 14.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.3 tt -111.87 -30.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.4 m-85 -112.54 159.09 19.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.983 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 27' ' ' ARG . . . -150.14 -147.23 4.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.42 165.33 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -92.55 127.95 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 m -130.07 161.36 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -83.26 138.94 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -72.56 104.2 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -132.12 89.88 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.858 0.361 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.1 140.66 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.04 152.44 19.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.9 p -124.12 177.99 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 6.0 mt -76.34 109.28 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.3 170.02 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 140.34 52.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.71 26.87 31.01 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.99 176.09 6.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -96.39 127.64 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.76 128.15 13.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.91 161.9 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 14' ' ' TYR . 8.8 m -53.67 -49.79 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.529 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.65 25.74 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t -65.51 172.38 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 110.677 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.77 -125.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.46 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 159.1 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -70.02 175.65 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -69.86 178.0 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.57 169.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.062 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -59.12 132.96 55.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 12.88 79.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.617 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 24.9 m-85 -140.22 127.57 21.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.55 0.214 . . . . 0.0 110.696 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 4.2 p90 -117.85 171.76 7.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.86 152.51 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -131.27 143.05 50.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -83.24 150.41 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.742 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 61.2 m-20 -58.51 -57.21 13.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 11.4 p90 -159.77 162.31 25.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.803 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.79 96.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.533 2.155 . . . . 0.0 112.383 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 25.36 3.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.98 163.69 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.662 HG23 ' HD1' ' A' ' 34' ' ' PHE . 12.1 tt -112.65 -29.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.662 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.2 m-85 -119.77 145.31 46.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.875 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.14 -151.33 5.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.648 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -125.82 153.02 44.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.998 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.37 137.57 33.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 m -130.14 177.25 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.54 156.41 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.6 mmt180 -69.54 80.45 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -151.05 132.21 14.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.898 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.826 0.346 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.62 -21.48 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -59.96 -21.41 61.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.175 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p -124.45 169.36 11.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 11' ' ' CYS . 73.9 mt -88.74 126.33 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -92.87 169.0 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -59.43 135.04 57.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.9 26.57 28.82 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.3 170.02 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -97.31 127.42 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.657 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.1 p -151.89 136.78 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 6.3 ptt180 -99.98 175.51 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.0 m -70.35 -42.74 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.36 18.77 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.56 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' CB ' ' HG3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -67.74 174.31 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.863 0.364 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.12 -125.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.367 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.48 159.95 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 m -69.98 -177.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.88 -176.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.9 177.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.87 113.74 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.03 -14.84 31.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.796 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 2.7 m-85 -123.71 145.75 48.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.757 0.313 . . . . 0.0 110.864 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -118.38 -178.03 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -111.97 118.62 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -111.77 147.46 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.88 173.79 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -73.23 -51.56 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 6.7 p90 -159.98 160.17 27.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.787 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.07 92.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.14 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.15 36.81 0.68 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.436 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -108.76 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.605 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.1 tp -111.58 -31.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' HD1' HG23 ' A' ' 33' ' ' ILE . 26.7 m-85 -139.16 159.66 41.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 0.0 111.017 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -149.88 5.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.458 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 m -132.56 163.32 29.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 t -94.61 133.84 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 m -130.05 158.02 40.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -91.41 117.82 30.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.41 169.4 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.918 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.46 -66.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.44 153.39 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p -133.37 -177.45 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 11' ' ' CYS . 23.8 mt -109.42 114.63 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.41 173.37 8.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.784 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 134.17 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.36 24.84 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.49 159.79 25.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.838 0.352 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -90.7 130.65 36.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.613 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.3 p -147.18 129.22 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.1 161.32 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 17.1 m -52.74 -45.67 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.523 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.0 m-85 -90.61 22.34 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.637 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 83.0 p -63.56 175.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 110.757 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.97 -124.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.34 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 168.83 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.755 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 m -71.73 178.08 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.9 -178.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.6 m -60.86 178.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -64.62 120.66 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.53 66.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.632 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 17.7 m-85 -134.43 140.78 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.667 0.27 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 2.0 p90 -125.68 163.61 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.06 124.01 46.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.74 144.71 37.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -85.37 156.84 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 71.3 m-20 -59.37 -51.11 71.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.6 p90 -157.46 160.95 30.05 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.759 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.55 99.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.634 2.223 . . . . 0.0 112.127 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.1 26.93 3.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.537 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.406 ' OG ' ' CD2' ' A' ' 29' ' ' PHE . 50.0 m -106.23 168.18 9.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.652 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.4 tt -113.42 -30.81 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.652 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.5 m-85 -119.3 146.53 45.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.028 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.19 -149.38 4.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.367 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.98 158.48 44.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -87.34 136.73 32.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -130.03 148.95 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 8.0 ptt180 -66.84 135.21 53.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 61.6 ttt180 -84.42 -40.86 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -164.29 106.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.889 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 50.3 p90 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.838 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 m -103.58 132.53 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.97 106.37 8.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p -142.04 168.94 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 11' ' ' CYS . 76.5 mt -75.15 119.16 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.99 169.92 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -57.17 133.24 54.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.05 24.67 47.64 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.51 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.52 162.59 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -90.02 127.37 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.73 ' HB3' HD13 ' A' ' 5' ' ' LEU . 14.6 p -147.03 138.47 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.8 167.43 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG12 HH21 ' A' ' 27' ' ' ARG . 12.4 m -56.73 -50.53 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.379 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.516 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.7 m-85 -90.83 23.37 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.724 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -57.7 -179.92 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.752 0.311 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.78 -125.93 0.2 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.382 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.42 161.53 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.804 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -69.99 175.27 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.07 178.24 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.1 173.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.1 114.77 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.55 20.06 35.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.677 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 89.5 m-85 -134.31 143.14 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.98 169.89 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -133.26 127.9 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -131.29 155.67 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.522 HH21 HG12 ' A' ' 13' ' ' VAL . 1.5 ptp85 -78.12 -179.83 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.31 -59.85 2.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 3.0 p90 -146.77 162.16 34.71 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 6.9 Cg_endo -49.24 100.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.824 2.35 . . . . 0.0 112.088 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.41 24.86 3.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.573 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -109.55 163.63 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.9 tt -116.97 -30.7 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.355 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.7 m-85 -113.43 148.27 36.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.203 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -148.69 4.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -136.08 164.75 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -107.17 129.49 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.3 m -130.12 144.92 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.5 ppt_? -59.74 138.67 57.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -78.9 153.06 30.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.8 155.93 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.811 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.3 m -98.62 30.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.225 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -115.85 125.82 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p -114.14 174.18 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 11' ' ' CYS . 86.1 mt -81.85 123.1 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.9 t80 -92.76 168.13 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -59.43 130.39 46.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.94 26.99 17.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.569 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.02 173.71 6.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.43 118.56 31.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HB3' HD13 ' A' ' 5' ' ' LEU . 29.5 p -146.01 134.99 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -102.09 164.7 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.954 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.8 m -55.94 -50.67 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.577 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.79 26.99 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.583 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 53.3 p -64.69 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.07 -122.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.626 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 172.94 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -88.64 170.78 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.94 170.2 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.53 117.87 6.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.32 20.03 47.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 39.9 m-85 -140.03 132.45 28.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -116.36 178.33 4.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 t -114.27 118.2 33.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -112.88 134.79 54.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -79.01 175.19 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -71.9 -56.43 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 5.0 p90 -152.78 161.46 29.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 9.3 Cg_endo -50.64 96.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.718 2.279 . . . . 0.0 112.162 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.04 -22.86 3.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.462 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -69.92 164.07 24.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.845 0.355 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.606 HG23 ' HD1' ' A' ' 34' ' ' PHE . 11.0 tt -115.1 -31.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.606 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -111.65 145.01 39.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.08 -153.75 6.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.51 151.46 46.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -91.84 126.65 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.0 m -130.04 160.17 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -68.52 151.73 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.794 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -97.48 118.94 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -123.88 179.58 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.935 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 t -83.17 152.91 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -115.26 165.5 12.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p -140.39 -178.01 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 11' ' ' CYS . 40.2 mt -96.56 126.54 41.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.5 t80 -102.58 175.51 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.87 134.63 42.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.1 49.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 5' ' ' LEU . . . -108.02 168.03 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -94.66 132.29 39.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.58 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.4 p -158.53 131.57 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -100.16 178.27 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.3 m -66.46 -49.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.86 22.28 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.715 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -59.71 174.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.46 -125.8 0.11 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 161.57 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -72.52 -172.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.86 -177.44 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.95 175.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.27 116.29 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.29 20.11 59.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.665 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 14.2 m-85 -129.89 139.97 51.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 38' ' ' SER . 9.8 p90 -121.84 174.66 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -123.2 139.56 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -122.07 157.02 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.33 157.55 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -67.93 -54.62 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -160.15 162.49 24.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.51 99.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.602 2.202 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.09 40.66 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 p -106.0 169.97 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 111.026 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.581 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.5 tp -113.47 -31.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' HD1' HG23 ' A' ' 33' ' ' ILE . 21.2 m-85 -134.24 150.81 51.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.91 -148.6 5.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.9 m -135.49 158.05 45.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.0 t -90.57 133.73 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 5.7 m -127.7 144.81 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.29 141.8 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -95.1 46.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -94.02 156.54 16.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.901 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.69 140.34 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.9 -172.97 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p -101.0 170.3 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 117.06 4.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 26.0 t80 -103.1 163.26 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.5 ptt180 -58.48 148.07 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.52 42.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 36' ' ' THR . . . -125.25 175.07 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -98.49 129.12 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -142.95 137.79 29.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.99 171.38 7.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.509 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.5 m -62.96 -51.72 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.617 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.509 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.93 27.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.992 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -64.14 170.19 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.92 -124.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.308 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.07 150.65 24.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.89 176.23 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -69.9 172.9 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.6 m -58.68 160.58 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.1 118.6 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.29 -15.44 42.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.588 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 6.1 m-85 -121.8 137.15 54.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -119.51 161.4 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -90.8 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -133.15 148.41 52.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -91.92 156.5 17.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 17.2 m-20 -59.58 -69.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.407 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 8.7 p90 -145.4 162.72 35.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 81.1 Cg_exo -47.78 99.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.574 2.183 . . . . 0.0 112.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.19 8.05 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.718 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -99.6 149.13 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.319 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.632 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.1 tt -102.86 -30.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.253 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.632 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.6 m-85 -113.72 145.79 40.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.186 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -140.8 3.29 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 9' ' ' ALA . 56.1 m -143.32 145.11 32.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.11 140.36 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 m -130.1 172.96 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.5 ptm180 -89.46 136.24 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -82.78 83.3 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -99.06 32.23 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.936 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.7 m -98.57 31.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.13 118.82 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 p -102.76 -177.7 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -84.46 105.3 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.7 t80 -99.94 166.58 10.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.18 141.54 50.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.09 -26.0 21.95 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.89 164.82 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -93.73 153.73 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.06 138.38 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.95 160.88 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.98 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.544 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.4 m -54.64 -48.11 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.517 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.544 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.63 25.48 2.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.814 -179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 30.2 p -66.18 170.02 6.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.312 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.79 -124.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.413 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.66 153.38 16.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 m -69.99 -178.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 m -70.05 -177.6 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.83 173.23 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.19 110.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.35 13.54 32.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.69 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 29.8 m-85 -140.1 153.27 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.82 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -137.33 165.94 24.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -90.05 127.07 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -111.13 155.87 22.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.521 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 6.5 mtt180 -93.96 167.04 11.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -79.05 -59.68 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.56 162.94 25.11 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.01 97.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.611 2.208 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.27 26.65 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.3 t -106.93 154.65 20.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.4 tt -107.06 -30.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.0 m-85 -118.59 147.48 43.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -134.91 2.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.7 165.34 29.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.339 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.9 t -86.98 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -129.99 166.04 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 3.8 ptt180 -86.34 125.89 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -62.95 152.21 37.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.58 -174.39 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.913 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.817 0.342 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.32 152.96 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -158.08 104.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.2 p -108.91 -177.58 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -102.26 134.13 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.19 171.59 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 135.04 56.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.61 27.35 35.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.68 160.16 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -89.99 114.01 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 p -133.68 151.2 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.05 164.83 16.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 14' ' ' TYR . 11.1 m -55.94 -51.27 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.673 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.8 25.4 2.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.078 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 p -62.58 178.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.38 -123.82 0.19 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.304 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 157.11 16.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -69.97 175.28 4.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -69.94 -178.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.4 m -59.59 160.95 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -58.63 126.24 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.16 -20.09 49.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.68 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 4.6 m-85 -101.41 165.95 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CD1' ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -150.15 151.18 32.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.977 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -90.91 142.23 27.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -127.88 135.81 50.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 178.65 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -84.35 -52.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -155.2 161.89 28.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.67 92.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.733 2.289 . . . . 0.0 112.128 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.85 26.19 3.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.553 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 t -91.39 175.93 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' HD1' ' A' ' 34' ' ' PHE . 1.5 tp -119.91 -34.96 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.291 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.545 ' HD1' HG23 ' A' ' 33' ' ' ILE . 14.4 m-85 -130.41 152.72 49.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.891 0.377 . . . . 0.0 111.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.86 5.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 m -130.87 148.9 52.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -85.06 129.35 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -130.14 174.76 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.0 142.97 27.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -93.35 44.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -124.07 106.91 10.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.887 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 11' ' ' CYS . 18.2 mt -83.16 135.67 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.6 t80 -102.5 170.15 8.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -58.19 135.89 57.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.22 27.26 52.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.56 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.71 160.72 18.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.07 130.81 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.789 ' HB3' HD13 ' A' ' 5' ' ' LEU . 9.7 p -147.32 128.04 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.99 164.87 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.552 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.4 m -55.94 -47.96 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.497 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.6 m-85 -90.67 24.3 2.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.761 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 24.6 p -68.7 -173.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.41 -126.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.386 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 -70.01 164.87 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.786 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -179.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.97 170.38 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.88 175.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.91 121.99 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.99 58.36 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.658 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 50.2 m-85 -140.02 151.22 45.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 2.2 p90 -142.21 167.38 22.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.6 t -105.78 137.24 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' CG ' ' CE2' ' A' ' 24' ' ' TYR . 5.0 mmm180 -122.63 142.58 50.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -70.01 161.4 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -72.69 -54.83 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 32' ' ' SER . 0.7 OUTLIER -156.09 163.01 26.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.0 92.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.568 2.179 . . . . 0.0 112.271 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.47 31.84 1.91 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.417 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 9.4 t -107.82 162.15 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.657 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.1 tt -110.15 -30.54 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.031 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.657 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.9 m-85 -114.84 154.34 28.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.814 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.96 -153.57 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 37' ' ' CYS . 25.8 m -136.06 163.14 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.436 ' N ' HG22 ' A' ' 36' ' ' THR . 37.8 t -96.21 125.97 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 34.0 m -130.02 152.57 49.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 15.1 ptt180 -65.77 129.59 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 6.5 ptm180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.87 0.367 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' ' 11' ' ' CYS . 56.9 mt -92.22 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -90.03 165.23 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.01 128.93 35.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.31 27.29 12.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.46 162.6 17.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.08 129.94 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.568 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.3 p -150.24 145.71 26.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.81 167.86 9.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.0 m -58.36 -48.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.334 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.534 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.79 23.05 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.799 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.4 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 21.7 p -57.75 164.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.753 0.311 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -123.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.321 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -59.38 157.67 10.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.719 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -69.9 175.22 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.93 -176.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.5 m -59.04 178.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.18 108.27 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.15 -20.03 38.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.76 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 61.9 m-85 -103.76 150.0 24.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 26' ' ' ARG . 6.9 p90 -134.1 177.4 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 t -96.78 135.92 38.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 9.1 mtm180 -119.18 144.81 46.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.76 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 48.4 m-20 -70.15 -49.01 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 1.7 p90 -153.59 162.0 27.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.93 96.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.689 2.259 . . . . 0.0 112.161 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.56 26.08 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.621 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -109.9 153.52 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.9 tt -101.61 -31.1 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.602 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -112.14 141.33 45.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -142.21 3.53 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 m -135.66 157.7 46.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.98 135.19 33.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -130.03 172.56 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.22 126.65 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.96 121.6 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -99.27 170.11 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.673 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.22 139.83 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.57 4.03 90.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.706 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.18 163.17 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 117.35 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.16 138.99 44.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -111.36 163.18 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.0 m -56.83 -47.99 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.503 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.5 m-85 -90.62 24.07 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.802 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 p -64.92 -170.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.44 -124.76 1.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 4.1 ptp180 -60.16 165.45 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 m -71.76 178.65 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.38 176.29 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.6 m -60.09 171.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.84 115.66 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.43 20.06 52.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 16.1 m-85 -134.56 145.09 48.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.312 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -127.96 166.36 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -113.75 136.78 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -131.29 132.34 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 166.38 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.72 -50.05 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.0 161.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.709 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.74 91.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.701 2.267 . . . . 0.0 112.052 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.07 -13.39 4.39 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.659 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.69 172.0 11.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.349 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.67 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.2 tt -116.97 -30.68 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.67 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.0 m-85 -118.25 149.05 41.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 111.11 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -149.4 5.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 155.17 51.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -92.95 136.19 33.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 m -130.06 165.43 22.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -84.97 126.27 33.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.803 0.335 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 11' ' ' CYS . 23.5 mt -89.53 121.34 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -94.54 171.74 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 132.86 54.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.19 27.26 23.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.59 166.13 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.72 115.18 26.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.748 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.4 p -135.61 134.81 39.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 173.96 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.1 m -70.62 -42.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.571 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.3 20.64 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.77 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.49 179.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.811 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -126.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 162.08 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -74.34 179.56 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -70.0 -179.66 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 m -60.69 172.19 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.73 123.53 17.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.54 85.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.751 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.6 m-85 -107.09 147.89 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.804 0.335 . . . . 0.0 110.796 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.48 174.7 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 t -126.13 110.11 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 153.98 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.16 170.1 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.02 -51.41 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -160.02 160.33 26.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.8 98.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.673 2.249 . . . . 0.0 112.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.15 27.15 2.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.91 163.55 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.643 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.7 tt -110.5 -31.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.643 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -112.35 164.81 12.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -160.96 9.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -130.46 146.74 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -85.16 125.71 33.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -130.07 155.15 46.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 19.3 ptt180 -78.56 150.61 32.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' A' ' 11' ' ' CYS . 22.6 mt -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.2 t80 -97.88 167.83 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.69 27.84 25.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.84 166.37 12.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 126.76 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.705 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.2 p -150.33 131.56 14.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.3 164.29 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.8 m -57.18 -46.68 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.342 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.5 23.78 2.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.752 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 t -67.45 -177.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -127.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -63.52 159.99 17.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.04 179.6 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.94 177.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.64 170.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 36.2 p90 -58.13 120.62 8.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 20.02 57.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 18.8 m-85 -136.59 142.85 43.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -122.15 174.48 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -116.74 116.76 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -108.09 131.23 54.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.03 168.18 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 40.7 m-20 -58.97 -55.35 36.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.2 p90 -153.62 163.28 24.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.6 95.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.63 30.19 3.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 t -100.77 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.519 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -118.62 -34.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' HD1' HG23 ' A' ' 33' ' ' ILE . 13.4 m-85 -128.05 149.29 50.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.12 -151.88 5.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.424 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -130.05 151.17 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.67 131.12 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -130.07 153.46 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 9.0 ptt-85 -67.06 157.64 33.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 41.0 ttt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 11' ' ' CYS . 24.2 mt -78.92 137.12 37.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 3.6 t80 -113.03 178.16 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -53.77 131.55 39.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.078 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.65 46.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.83 156.57 19.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.044 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.86 135.12 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.613 ' HB3' HD13 ' A' ' 5' ' ' LEU . 11.8 p -152.59 136.58 16.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.73 166.92 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.2 m -55.15 -50.96 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.523 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.79 26.28 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.813 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 p -63.94 167.24 6.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.01 -125.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 152.02 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.02 -177.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 m -70.06 -178.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.77 170.58 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -58.98 116.53 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.15 14.13 46.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.788 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 74.0 m-85 -140.05 146.07 38.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -134.8 173.42 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -101.94 150.0 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -140.06 136.94 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.01 179.09 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.99 -53.61 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -159.66 160.7 27.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.86 99.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.798 2.332 . . . . 0.0 112.09 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.29 25.47 3.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.1 p -107.49 172.71 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 34' ' ' PHE . 20.3 tt -120.03 -46.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.492 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.8 m-30 -103.83 153.71 20.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 111.03 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -150.52 5.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -133.2 175.54 9.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.949 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' H ' HG22 ' A' ' 36' ' ' THR . 34.3 t -106.61 135.12 48.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.9 m -130.11 151.48 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.8 ptt180 -66.47 129.48 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.82 0.343 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 11' ' ' CYS . 21.9 mt -95.58 121.93 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.1 177.19 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 138.32 54.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.94 27.72 57.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.32 162.13 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 128.39 36.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.567 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.8 p -152.44 133.7 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -105.42 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.525 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.7 m -61.24 -50.45 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.392 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.8 22.61 3.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.803 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -179.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.32 -125.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.365 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.38 171.41 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 m -70.03 175.17 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.98 -176.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.3 m -66.13 176.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.85 117.98 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.15 4.85 66.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.913 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.7 m-85 -127.78 140.2 52.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 110.722 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.7 p90 -120.08 -177.83 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -127.63 111.73 14.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.453 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 1.7 mmp_? -108.88 144.19 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -71.7 169.87 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -75.01 -72.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.04 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -137.33 161.08 62.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.784 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.21 103.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.668 2.245 . . . . 0.0 112.05 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.79 23.13 4.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.3 t -109.93 166.08 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.639 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.3 tt -114.44 -30.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.639 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.8 m-85 -110.25 156.81 20.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 111.211 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.98 -156.1 7.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -135.71 160.79 37.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -96.41 127.4 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 m -129.96 148.76 51.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.6 mtm105 -57.78 146.14 32.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.817 0.341 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.5 141.28 46.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 5.9 t80 -110.71 168.85 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.438 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -50.01 136.06 19.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.48 27.06 37.02 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 36' ' ' THR . . . -115.88 158.73 22.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.95 123.65 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -144.23 133.88 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.92 161.74 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.531 HG23 ' CG ' ' A' ' 14' ' ' TYR . 12.2 m -52.74 -48.92 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.676 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.6 m-85 -90.59 25.9 2.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.922 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -65.44 171.4 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.84 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -124.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.322 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.44 161.34 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.763 0.316 . . . . 0.0 110.787 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -70.05 178.31 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.01 -177.45 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.788 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.15 175.25 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.7 118.98 6.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 19.99 58.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.637 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 21.3 m-85 -137.48 145.45 43.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -131.18 -178.14 4.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.7 t -112.91 121.62 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -110.76 133.62 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 157.95 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.49 -65.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -145.32 162.99 34.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -47.79 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.539 2.16 . . . . 0.0 112.364 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.87 24.79 3.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.583 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.1 m -107.08 153.26 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.775 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.641 HG23 ' HD1' ' A' ' 34' ' ' PHE . 11.4 tt -107.62 -30.87 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.641 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.4 m-85 -116.47 143.4 45.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.978 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -145.0 4.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 9' ' ' ALA . 20.7 m -137.54 155.38 49.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.8 t -79.47 133.07 36.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 142.24 50.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.26 158.55 19.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 4.1 mmm-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 11' ' ' CYS . 34.9 mt -102.51 140.95 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -114.23 176.57 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 131.95 51.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.87 31.38 23.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.28 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.98 129.53 36.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.761 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.1 p -155.81 133.13 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.98 177.69 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.514 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.2 m -63.44 -51.57 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.328 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.5 m-85 -90.98 22.71 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.792 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -179.92 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -125.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.357 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.3 167.1 20.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.807 0.337 . . . . 0.0 110.802 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -70.0 177.52 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 m -70.01 -177.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.3 m -69.18 174.81 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -64.14 121.62 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.83 10.01 61.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.744 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 39' ' ' ARG . 14.5 m-85 -137.64 161.71 35.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -150.12 160.64 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.7 t -90.04 149.05 22.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -140.06 142.51 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -80.26 159.99 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.5 m-20 -66.31 -50.61 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.5 p90 -159.97 161.08 26.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.29 92.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.41 33.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -106.49 173.82 6.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.585 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.6 tp -116.92 -31.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.585 ' HD1' HG23 ' A' ' 33' ' ' ILE . 20.1 m-85 -134.11 153.39 51.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.06 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.74 -146.53 4.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -133.4 164.17 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -95.65 131.12 42.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -130.0 164.04 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.75 133.47 44.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 26.5 ptt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 11' ' ' CYS . 35.5 mt -74.65 112.75 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.5 t80 -101.38 170.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.28 135.81 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.007 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.57 36.32 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.375 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.81 153.26 33.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -89.89 117.41 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.526 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.4 p -130.62 129.86 43.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 162.06 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.052 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.2 m -54.61 -46.88 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.514 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.64 24.07 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.734 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 7.1 t -69.47 -175.93 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.776 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.78 -125.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 174.98 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.778 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -70.03 177.36 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.95 -178.91 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.7 m -63.61 173.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.01 114.9 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -0.47 60.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.804 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.495 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 5.3 m-85 -125.22 154.75 41.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -138.06 179.92 6.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.51 116.89 32.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.659 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.95 129.01 45.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 148.4 35.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -55.67 -57.16 13.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.993 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -159.96 162.49 24.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.49 92.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.6 1.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 p -104.26 177.37 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.813 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.05 -35.73 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HD1' HG23 ' A' ' 33' ' ' ILE . 12.4 m-85 -127.89 155.67 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.45 -153.01 5.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -135.38 159.04 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.9 t -95.99 129.24 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.0 m -130.11 171.52 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.5 mtm-85 -71.38 154.26 41.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.832 0.348 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 11' ' ' CYS . 4.9 mt -78.57 115.85 18.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -93.18 167.02 12.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -62.01 133.33 55.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.0 -15.95 30.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.748 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.01 178.33 6.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.49 151.33 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.985 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.4 p -160.06 132.16 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 168.36 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.059 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 33' ' ' ILE . 7.6 m -52.55 -52.93 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.081 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.485 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.4 m-85 -90.53 24.55 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.115 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -64.96 178.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 110.75 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.229 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.28 163.52 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.657 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -69.96 179.77 2.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.768 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m -69.99 174.78 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.73 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 m -59.43 166.88 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.22 116.93 4.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.68 -20.12 45.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.7 m-85 -107.86 141.81 38.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -112.89 -179.16 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -130.98 125.75 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -126.28 144.72 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HA ' ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -69.95 166.11 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -57.58 -61.99 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.63 160.77 37.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.9 90.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.624 2.216 . . . . 0.0 112.111 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.01 -9.31 4.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.799 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.51 171.39 14.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.3 tt -111.87 -30.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.4 m-85 -112.54 159.09 19.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.983 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 27' ' ' ARG . . . -150.14 -147.23 4.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.42 165.33 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -92.55 127.95 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 m -130.07 161.36 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -83.26 138.94 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 6.0 mt -76.34 109.28 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.3 170.02 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 140.34 52.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.71 26.87 31.01 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.99 176.09 6.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -96.39 127.64 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.76 128.15 13.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.91 161.9 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 14' ' ' TYR . 8.8 m -53.67 -49.79 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.529 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.65 25.74 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t -65.51 172.38 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 110.677 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.77 -125.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.46 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 159.1 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -70.02 175.65 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -69.86 178.0 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.57 169.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.062 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -59.12 132.96 55.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 12.88 79.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.617 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 24.9 m-85 -140.22 127.57 21.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.55 0.214 . . . . 0.0 110.696 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 4.2 p90 -117.85 171.76 7.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.86 152.51 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -131.27 143.05 50.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -83.24 150.41 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.742 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 61.2 m-20 -58.51 -57.21 13.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 11.4 p90 -159.77 162.31 25.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.803 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.79 96.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.533 2.155 . . . . 0.0 112.383 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 25.36 3.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.98 163.69 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.662 HG23 ' HD1' ' A' ' 34' ' ' PHE . 12.1 tt -112.65 -29.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.662 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.2 m-85 -119.77 145.31 46.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.875 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.14 -151.33 5.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.648 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -125.82 153.02 44.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.998 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.37 137.57 33.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 m -130.14 177.25 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.54 156.41 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.6 mmt180 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 11' ' ' CYS . 73.9 mt -88.74 126.33 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -92.87 169.0 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -59.43 135.04 57.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.9 26.57 28.82 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.3 170.02 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -97.31 127.42 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.657 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.1 p -151.89 136.78 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 6.3 ptt180 -99.98 175.51 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.0 m -70.35 -42.74 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.36 18.77 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.56 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.402 ' CB ' ' HG3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -67.74 174.31 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.863 0.364 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.12 -125.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.367 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.48 159.95 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 m -69.98 -177.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.88 -176.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.9 177.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.87 113.74 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.03 -14.84 31.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.796 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 2.7 m-85 -123.71 145.75 48.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.757 0.313 . . . . 0.0 110.864 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -118.38 -178.03 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -111.97 118.62 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -111.77 147.46 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.88 173.79 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -73.23 -51.56 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 6.7 p90 -159.98 160.17 27.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.787 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.07 92.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.14 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.15 36.81 0.68 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.436 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -108.76 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.605 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.1 tp -111.58 -31.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.605 ' HD1' HG23 ' A' ' 33' ' ' ILE . 26.7 m-85 -139.16 159.66 41.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 0.0 111.017 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -149.88 5.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.458 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 m -132.56 163.32 29.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 t -94.61 133.84 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 m -130.05 158.02 40.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 11' ' ' CYS . 23.8 mt -109.42 114.63 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.41 173.37 8.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.784 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 134.17 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.36 24.84 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.49 159.79 25.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.838 0.352 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -90.7 130.65 36.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.613 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.3 p -147.18 129.22 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.1 161.32 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 17.1 m -52.74 -45.67 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.523 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.0 m-85 -90.61 22.34 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.637 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.418 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 83.0 p -63.56 175.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 110.757 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.97 -124.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.34 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 168.83 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.755 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 m -71.73 178.08 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.9 -178.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.6 m -60.86 178.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -64.62 120.66 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.53 66.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.632 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 17.7 m-85 -134.43 140.78 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.667 0.27 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 2.0 p90 -125.68 163.61 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.06 124.01 46.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.74 144.71 37.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -85.37 156.84 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 71.3 m-20 -59.37 -51.11 71.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.6 p90 -157.46 160.95 30.05 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.759 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.55 99.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.634 2.223 . . . . 0.0 112.127 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.1 26.93 3.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.537 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.406 ' OG ' ' CD2' ' A' ' 29' ' ' PHE . 50.0 m -106.23 168.18 9.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.652 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.4 tt -113.42 -30.81 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.652 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.5 m-85 -119.3 146.53 45.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.028 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.19 -149.38 4.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.367 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.98 158.48 44.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -87.34 136.73 32.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -130.03 148.95 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 8.0 ptt180 -66.84 135.21 53.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 61.6 ttt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 11' ' ' CYS . 76.5 mt -75.15 119.16 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.99 169.92 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -57.17 133.24 54.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.05 24.67 47.64 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.51 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.52 162.59 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -90.02 127.37 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.73 ' HB3' HD13 ' A' ' 5' ' ' LEU . 14.6 p -147.03 138.47 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.8 167.43 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG12 HH21 ' A' ' 27' ' ' ARG . 12.4 m -56.73 -50.53 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.379 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.516 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.7 m-85 -90.83 23.37 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.724 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -57.7 -179.92 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.752 0.311 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.78 -125.93 0.2 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.382 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.42 161.53 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.804 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -69.99 175.27 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.07 178.24 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.1 173.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.1 114.77 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.55 20.06 35.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.677 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 89.5 m-85 -134.31 143.14 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.98 169.89 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -133.26 127.9 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -131.29 155.67 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.522 HH21 HG12 ' A' ' 13' ' ' VAL . 1.5 ptp85 -78.12 -179.83 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.31 -59.85 2.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 3.0 p90 -146.77 162.16 34.71 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 6.9 Cg_endo -49.24 100.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.824 2.35 . . . . 0.0 112.088 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.41 24.86 3.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.573 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -109.55 163.63 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.9 tt -116.97 -30.7 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.355 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.7 m-85 -113.43 148.27 36.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.203 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -148.69 4.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -136.08 164.75 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -107.17 129.49 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.3 m -130.12 144.92 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.5 ppt_? -59.74 138.67 57.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 11' ' ' CYS . 86.1 mt -81.85 123.1 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.9 t80 -92.76 168.13 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.411 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -59.43 130.39 46.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.94 26.99 17.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.569 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.02 173.71 6.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.43 118.56 31.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HB3' HD13 ' A' ' 5' ' ' LEU . 29.5 p -146.01 134.99 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -102.09 164.7 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.954 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.8 m -55.94 -50.67 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.577 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.79 26.99 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.583 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 53.3 p -64.69 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.07 -122.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.626 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 172.94 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -88.64 170.78 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.94 170.2 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.53 117.87 6.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.32 20.03 47.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 39.9 m-85 -140.03 132.45 28.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -116.36 178.33 4.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 t -114.27 118.2 33.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -112.88 134.79 54.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -79.01 175.19 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -71.9 -56.43 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 5.0 p90 -152.78 161.46 29.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 9.3 Cg_endo -50.64 96.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.718 2.279 . . . . 0.0 112.162 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.04 -22.86 3.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.462 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -69.92 164.07 24.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.845 0.355 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.606 HG23 ' HD1' ' A' ' 34' ' ' PHE . 11.0 tt -115.1 -31.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.606 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -111.65 145.01 39.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.08 -153.75 6.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.51 151.46 46.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -91.84 126.65 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.0 m -130.04 160.17 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -68.52 151.73 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.794 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 11' ' ' CYS . 40.2 mt -96.56 126.54 41.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.5 t80 -102.58 175.51 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.87 134.63 42.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.1 49.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 5' ' ' LEU . . . -108.02 168.03 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -94.66 132.29 39.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.58 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.4 p -158.53 131.57 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -100.16 178.27 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.3 m -66.46 -49.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.86 22.28 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.715 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -59.71 174.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.46 -125.8 0.11 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 161.57 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -72.52 -172.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.86 -177.44 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.95 175.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.27 116.29 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.29 20.11 59.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.665 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 14.2 m-85 -129.89 139.97 51.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 38' ' ' SER . 9.8 p90 -121.84 174.66 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -123.2 139.56 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -122.07 157.02 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.33 157.55 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -67.93 -54.62 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -160.15 162.49 24.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.51 99.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.602 2.202 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.09 40.66 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 p -106.0 169.97 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 111.026 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.581 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.5 tp -113.47 -31.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.581 ' HD1' HG23 ' A' ' 33' ' ' ILE . 21.2 m-85 -134.24 150.81 51.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.91 -148.6 5.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.9 m -135.49 158.05 45.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.0 t -90.57 133.73 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 5.7 m -127.7 144.81 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.29 141.8 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.816 0.341 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 117.06 4.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 26.0 t80 -103.1 163.26 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.5 ptt180 -58.48 148.07 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.52 42.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 36' ' ' THR . . . -125.25 175.07 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -98.49 129.12 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -142.95 137.79 29.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.99 171.38 7.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.509 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.5 m -62.96 -51.72 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.617 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.509 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.93 27.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.992 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -64.14 170.19 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.92 -124.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.308 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.07 150.65 24.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.89 176.23 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -69.9 172.9 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.6 m -58.68 160.58 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.1 118.6 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.29 -15.44 42.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.588 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 6.1 m-85 -121.8 137.15 54.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -119.51 161.4 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -90.8 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -133.15 148.41 52.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -91.92 156.5 17.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 17.2 m-20 -59.58 -69.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 8.7 p90 -145.4 162.72 35.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 81.1 Cg_exo -47.78 99.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.574 2.183 . . . . 0.0 112.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.19 8.05 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.718 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -99.6 149.13 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.319 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.632 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.1 tt -102.86 -30.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.253 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.632 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.6 m-85 -113.72 145.79 40.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.186 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -140.8 3.29 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 9' ' ' ALA . 56.1 m -143.32 145.11 32.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.11 140.36 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 m -130.1 172.96 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.5 ptm180 -89.46 136.24 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -84.46 105.3 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.7 t80 -99.94 166.58 10.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.18 141.54 50.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.09 -26.0 21.95 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.89 164.82 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -93.73 153.73 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.06 138.38 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.95 160.88 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.98 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.544 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.4 m -54.64 -48.11 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.517 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.544 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.63 25.48 2.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.814 -179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 30.2 p -66.18 170.02 6.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.312 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.79 -124.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.413 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.66 153.38 16.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 m -69.99 -178.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 m -70.05 -177.6 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.83 173.23 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.19 110.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.35 13.54 32.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.69 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 29.8 m-85 -140.1 153.27 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.82 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -137.33 165.94 24.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -90.05 127.07 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -111.13 155.87 22.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.521 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 6.5 mtt180 -93.96 167.04 11.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -79.05 -59.68 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.56 162.94 25.11 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.01 97.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.611 2.208 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.27 26.65 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.3 t -106.93 154.65 20.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.4 tt -107.06 -30.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.0 m-85 -118.59 147.48 43.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -134.91 2.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.7 165.34 29.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.339 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.9 t -86.98 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -129.99 166.04 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 3.8 ptt180 -86.34 125.89 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -102.26 134.13 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.19 171.59 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 135.04 56.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.61 27.35 35.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.68 160.16 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -89.99 114.01 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 p -133.68 151.2 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.05 164.83 16.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 14' ' ' TYR . 11.1 m -55.94 -51.27 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.673 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.8 25.4 2.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.078 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 p -62.58 178.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.38 -123.82 0.19 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.304 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 157.11 16.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -69.97 175.28 4.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -69.94 -178.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.4 m -59.59 160.95 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -58.63 126.24 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.16 -20.09 49.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.68 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 4.6 m-85 -101.41 165.95 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CD1' ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -150.15 151.18 32.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.977 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -90.91 142.23 27.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -127.88 135.81 50.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 178.65 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -84.35 -52.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -155.2 161.89 28.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.67 92.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.733 2.289 . . . . 0.0 112.128 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.85 26.19 3.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.553 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 t -91.39 175.93 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' HD1' ' A' ' 34' ' ' PHE . 1.5 tp -119.91 -34.96 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.291 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.545 ' HD1' HG23 ' A' ' 33' ' ' ILE . 14.4 m-85 -130.41 152.72 49.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.891 0.377 . . . . 0.0 111.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.86 5.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 m -130.87 148.9 52.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -85.06 129.35 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -130.14 174.76 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.0 142.97 27.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.809 0.338 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 3' ' ' SER . 11.1 p -118.96 -41.1 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.422 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.2 m -73.57 169.57 16.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p -136.44 169.26 17.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 11' ' ' CYS . 18.2 mt -83.16 135.67 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.6 t80 -102.5 170.15 8.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -58.19 135.89 57.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.22 27.26 52.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.56 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.71 160.72 18.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.07 130.81 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.789 ' HB3' HD13 ' A' ' 5' ' ' LEU . 9.7 p -147.32 128.04 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.99 164.87 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.552 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.4 m -55.94 -47.96 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.497 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.6 m-85 -90.67 24.3 2.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.761 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 24.6 p -68.7 -173.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.41 -126.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.386 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 -70.01 164.87 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.786 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -179.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.97 170.38 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.88 175.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.91 121.99 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.99 58.36 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.658 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 50.2 m-85 -140.02 151.22 45.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.753 0.311 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 2.2 p90 -142.21 167.38 22.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.6 t -105.78 137.24 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' CG ' ' CE2' ' A' ' 24' ' ' TYR . 5.0 mmm180 -122.63 142.58 50.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -70.01 161.4 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -72.69 -54.83 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 32' ' ' SER . 0.7 OUTLIER -156.09 163.01 26.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.0 92.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.568 2.179 . . . . 0.0 112.271 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.47 31.84 1.91 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.417 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 9.4 t -107.82 162.15 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.657 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.1 tt -110.15 -30.54 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.031 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.657 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.9 m-85 -114.84 154.34 28.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.814 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.96 -153.57 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 37' ' ' CYS . 25.8 m -136.06 163.14 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.436 ' N ' HG22 ' A' ' 36' ' ' THR . 37.8 t -96.21 125.97 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 34.0 m -130.02 152.57 49.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 15.1 ptt180 -65.77 129.59 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 6.5 ptm180 -82.41 58.61 4.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -89.47 99.54 12.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 3' ' ' SER . 28.2 m -62.71 -45.21 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 2' ' ' VAL . 3.3 m -174.92 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p -123.83 176.79 6.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' ' 11' ' ' CYS . 56.9 mt -92.22 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -90.03 165.23 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.01 128.93 35.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.31 27.29 12.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.46 162.6 17.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.08 129.94 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.568 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.3 p -150.24 145.71 26.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.81 167.86 9.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.0 m -58.36 -48.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.334 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.534 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.79 23.05 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.799 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.4 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 21.7 p -57.75 164.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.753 0.311 . . . . 0.0 110.849 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.52 -123.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.321 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -59.38 157.67 10.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.719 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -69.9 175.22 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.93 -176.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.5 m -59.04 178.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.18 108.27 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.15 -20.03 38.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.76 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 61.9 m-85 -103.76 150.0 24.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 26' ' ' ARG . 6.9 p90 -134.1 177.4 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 t -96.78 135.92 38.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 9.1 mtm180 -119.18 144.81 46.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.76 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 48.4 m-20 -70.15 -49.01 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 1.7 p90 -153.59 162.0 27.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.93 96.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.689 2.259 . . . . 0.0 112.161 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.56 26.08 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.621 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 t -109.9 153.52 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.9 tt -101.61 -31.1 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.602 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -112.14 141.33 45.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -142.21 3.53 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 m -135.66 157.7 46.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -87.98 135.19 33.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -130.03 172.56 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.22 126.65 31.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 161.84 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -71.97 165.38 24.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.923 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.901 ' CD2' HG22 ' A' ' 2' ' ' VAL . 4.1 p90 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.747 0.308 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.901 HG22 ' CD2' ' A' ' 1' ' ' TYR . 34.3 m -144.59 134.4 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -146.76 170.23 17.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -99.63 162.62 12.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.96 121.6 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -99.27 170.11 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.673 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.22 139.83 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.57 4.03 90.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.706 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.18 163.17 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.746 0.308 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 117.35 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -135.16 138.99 44.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -111.36 163.18 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.0 m -56.83 -47.99 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.503 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.5 m-85 -90.62 24.07 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.802 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.7 p -64.92 -170.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.44 -124.76 1.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 4.1 ptp180 -60.16 165.45 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 m -71.76 178.65 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.38 176.29 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.6 m -60.09 171.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.84 115.66 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.43 20.06 52.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 16.1 m-85 -134.56 145.09 48.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.312 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -127.96 166.36 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -113.75 136.78 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -131.29 132.34 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 166.38 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.72 -50.05 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.0 161.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.709 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.74 91.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.701 2.267 . . . . 0.0 112.052 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.07 -13.39 4.39 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.659 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.69 172.0 11.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.349 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.67 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.2 tt -116.97 -30.68 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.67 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.0 m-85 -118.25 149.05 41.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 111.11 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -149.4 5.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 155.17 51.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -92.95 136.19 33.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 m -130.06 165.43 22.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -84.97 126.27 33.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -35.43 80.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.98 119.35 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.895 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.808 0.337 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 2' ' ' VAL . 23.1 m -94.32 101.15 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.1 154.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -97.23 172.84 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 11' ' ' CYS . 23.5 mt -89.53 121.34 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -94.54 171.74 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 132.86 54.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.19 27.26 23.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.59 166.13 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.72 115.18 26.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.748 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.4 p -135.61 134.81 39.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 173.96 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.1 m -70.62 -42.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.571 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.3 20.64 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.77 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.49 179.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.811 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -126.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 162.08 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -74.34 179.56 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -70.0 -179.66 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 m -60.69 172.19 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.73 123.53 17.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.54 85.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.751 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.6 m-85 -107.09 147.89 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.804 0.335 . . . . 0.0 110.796 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.48 174.7 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 t -126.13 110.11 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 153.98 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.16 170.1 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.02 -51.41 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -160.02 160.33 26.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.8 98.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.673 2.249 . . . . 0.0 112.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.15 27.15 2.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.91 163.55 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.643 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.7 tt -110.5 -31.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.643 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -112.35 164.81 12.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -160.96 9.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -130.46 146.74 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -85.16 125.71 33.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -130.07 155.15 46.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 19.3 ptt180 -78.56 150.61 32.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -66.22 129.19 38.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.905 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -100.04 142.84 30.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.793 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.1 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.87 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.806 0.336 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.0 m -99.83 30.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 121.29 20.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p -144.76 177.22 8.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' A' ' 11' ' ' CYS . 22.6 mt -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.2 t80 -97.88 167.83 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.69 27.84 25.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.84 166.37 12.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 126.76 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.705 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.2 p -150.33 131.56 14.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.3 164.29 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.8 m -57.18 -46.68 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.342 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.5 23.78 2.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.752 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 t -67.45 -177.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.06 -127.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -63.52 159.99 17.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.04 179.6 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.94 177.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.64 170.73 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 36.2 p90 -58.13 120.62 8.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 20.02 57.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 18.8 m-85 -136.59 142.85 43.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -122.15 174.48 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -116.74 116.76 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -108.09 131.23 54.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.03 168.18 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.999 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 40.7 m-20 -58.97 -55.35 36.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.2 p90 -153.62 163.28 24.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.6 95.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.63 30.19 3.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 t -100.77 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.519 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -118.62 -34.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' HD1' HG23 ' A' ' 33' ' ' ILE . 13.4 m-85 -128.05 149.29 50.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.12 -151.88 5.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.424 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -130.05 151.17 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.67 131.12 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -130.07 153.46 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 9.0 ptt-85 -67.06 157.64 33.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 41.0 ttt180 -85.25 -66.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.33 175.33 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.937 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.0 t -86.88 -61.19 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.1 p -61.41 107.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.11 157.47 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 11' ' ' CYS . 24.2 mt -78.92 137.12 37.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 3.6 t80 -113.03 178.16 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -53.77 131.55 39.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.078 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.65 46.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.83 156.57 19.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.044 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.86 135.12 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.613 ' HB3' HD13 ' A' ' 5' ' ' LEU . 11.8 p -152.59 136.58 16.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.737 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.73 166.92 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.2 m -55.15 -50.96 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.523 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.79 26.28 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.813 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 p -63.94 167.24 6.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.01 -125.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 152.02 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -70.02 -177.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 m -70.06 -178.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -66.77 170.58 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -58.98 116.53 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.15 14.13 46.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.788 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 74.0 m-85 -140.05 146.07 38.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -134.8 173.42 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -101.94 150.0 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -140.06 136.94 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.01 179.09 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.99 -53.61 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -159.66 160.7 27.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.86 99.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.798 2.332 . . . . 0.0 112.09 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.29 25.47 3.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.1 p -107.49 172.71 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 34' ' ' PHE . 20.3 tt -120.03 -46.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.492 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.8 m-30 -103.83 153.71 20.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 111.03 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -150.52 5.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -133.2 175.54 9.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.949 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' H ' HG22 ' A' ' 36' ' ' THR . 34.3 t -106.61 135.12 48.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.9 m -130.11 151.48 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.8 ptt180 -66.47 129.48 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 77.2 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -141.28 35.28 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.4 m -145.98 168.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.02 -171.34 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p -90.03 176.21 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 11' ' ' CYS . 21.9 mt -95.58 121.93 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.1 177.19 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.18 138.32 54.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.94 27.72 57.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.32 162.13 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 128.39 36.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.567 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.8 p -152.44 133.7 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -105.42 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.7 m -61.24 -50.45 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.392 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.8 22.61 3.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.803 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -179.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.32 -125.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.365 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.38 171.41 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 m -70.03 175.17 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.98 -176.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.3 m -66.13 176.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.85 117.98 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.15 4.85 66.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.913 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.7 m-85 -127.78 140.2 52.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 110.722 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.7 p90 -120.08 -177.83 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -127.63 111.73 14.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.453 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 1.7 mmp_? -108.88 144.19 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -71.7 169.87 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -75.01 -72.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.04 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -137.33 161.08 62.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.784 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.21 103.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.668 2.245 . . . . 0.0 112.05 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.79 23.13 4.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.3 t -109.93 166.08 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.639 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.3 tt -114.44 -30.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.639 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.8 m-85 -110.25 156.81 20.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 111.211 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.98 -156.1 7.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -135.71 160.79 37.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -96.41 127.4 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 m -129.96 148.76 51.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.6 mtm105 -57.78 146.14 32.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -81.08 123.11 28.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.16 162.54 26.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.83 0.348 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 3' ' ' SER . 21.5 t -126.31 158.07 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -167.43 179.94 4.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.56 -176.98 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.5 141.28 46.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 5.9 t80 -110.71 168.85 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.438 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -50.01 136.06 19.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.48 27.06 37.02 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 36' ' ' THR . . . -115.88 158.73 22.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.95 123.65 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -144.23 133.88 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.92 161.74 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG23 ' CG ' ' A' ' 14' ' ' TYR . 12.2 m -52.74 -48.92 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.676 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.6 m-85 -90.59 25.9 2.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.922 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -65.44 171.4 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.84 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -124.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.322 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.44 161.34 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.763 0.316 . . . . 0.0 110.787 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.9 m -70.05 178.31 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.01 -177.45 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.788 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.15 175.25 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.7 118.98 6.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 19.99 58.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.637 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 21.3 m-85 -137.48 145.45 43.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -131.18 -178.14 4.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.7 t -112.91 121.62 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -110.76 133.62 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 157.95 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.49 -65.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -145.32 162.99 34.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -47.79 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.539 2.16 . . . . 0.0 112.364 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.87 24.79 3.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.583 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.1 m -107.08 153.26 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.775 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.641 HG23 ' HD1' ' A' ' 34' ' ' PHE . 11.4 tt -107.62 -30.87 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.641 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.4 m-85 -116.47 143.4 45.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.978 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -145.0 4.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 9' ' ' ALA . 20.7 m -137.54 155.38 49.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.8 t -79.47 133.07 36.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 142.24 50.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.26 158.55 19.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 4.1 mmm-85 -79.2 153.58 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -159.44 84.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 2' ' ' VAL . 10.2 p -71.12 68.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 p -100.43 124.39 45.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.7 p -126.34 -179.75 4.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 11' ' ' CYS . 34.9 mt -102.51 140.95 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -114.23 176.57 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 131.95 51.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.87 31.38 23.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.28 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.98 129.53 36.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.761 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.1 p -155.81 133.13 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.98 177.69 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.514 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.2 m -63.44 -51.57 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.328 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.5 m-85 -90.98 22.71 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.792 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -179.92 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -125.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.357 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.3 167.1 20.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.807 0.337 . . . . 0.0 110.802 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -70.0 177.52 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 m -70.01 -177.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.3 m -69.18 174.81 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -64.14 121.62 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.83 10.01 61.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.744 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 39' ' ' ARG . 14.5 m-85 -137.64 161.71 35.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -150.12 160.64 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.7 t -90.04 149.05 22.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -140.06 142.51 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -80.26 159.99 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.5 m-20 -66.31 -50.61 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.5 p90 -159.97 161.08 26.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.29 92.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.41 33.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -106.49 173.82 6.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.585 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.6 tp -116.92 -31.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.585 ' HD1' HG23 ' A' ' 33' ' ' ILE . 20.1 m-85 -134.11 153.39 51.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.06 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.74 -146.53 4.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -133.4 164.17 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -95.65 131.12 42.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -130.0 164.04 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.75 133.47 44.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 26.5 ptt85 -92.64 126.03 37.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -125.26 124.17 41.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.93 179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -81.87 -25.45 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.238 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -126.38 46.48 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.4 p -107.43 172.74 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 11' ' ' CYS . 35.5 mt -74.65 112.75 11.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 4.5 t80 -101.38 170.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.28 135.81 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.007 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.57 36.32 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.375 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.81 153.26 33.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -89.89 117.41 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.526 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.4 p -130.62 129.86 43.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 162.06 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.052 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.2 m -54.61 -46.88 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.514 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.64 24.07 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.734 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 7.1 t -69.47 -175.93 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.776 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.78 -125.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 174.98 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.778 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -70.03 177.36 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.95 -178.91 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.7 m -63.61 173.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.01 114.9 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -0.47 60.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.804 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.495 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 5.3 m-85 -125.22 154.75 41.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -138.06 179.92 6.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.51 116.89 32.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.659 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.95 129.01 45.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 148.4 35.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -55.67 -57.16 13.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.993 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -159.96 162.49 24.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.49 92.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.6 1.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 p -104.26 177.37 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.813 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.05 -35.73 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HD1' HG23 ' A' ' 33' ' ' ILE . 12.4 m-85 -127.89 155.67 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.45 -153.01 5.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -135.38 159.04 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.9 t -95.99 129.24 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.0 m -130.11 171.52 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 5.5 mtm-85 -71.38 154.26 41.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.8 OUTLIER -83.96 -31.17 25.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -79.81 160.32 26.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.3 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.855 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.87 147.37 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 t -91.93 112.61 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.9 p -121.99 172.04 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 11' ' ' CYS . 4.9 mt -78.57 115.85 18.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -93.18 167.02 12.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -62.01 133.33 55.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.0 -15.95 30.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.748 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.01 178.33 6.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.49 151.33 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.985 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.4 p -160.06 132.16 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.89 168.36 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.059 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 33' ' ' ILE . 7.6 m -52.55 -52.93 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.081 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.485 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.4 m-85 -90.53 24.55 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.115 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -64.96 178.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 110.75 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.229 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.28 163.52 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.657 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -69.96 179.77 2.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.768 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m -69.99 174.78 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.73 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 m -59.43 166.88 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.22 116.93 4.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.68 -20.12 45.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.7 m-85 -107.86 141.81 38.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -112.89 -179.16 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -130.98 125.75 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -126.28 144.72 50.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HA ' ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -69.95 166.11 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -57.58 -61.99 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.63 160.77 37.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.9 90.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.624 2.216 . . . . 0.0 112.111 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.01 -9.31 4.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.799 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.51 171.39 14.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.3 tt -111.87 -30.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.4 m-85 -112.54 159.09 19.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.983 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 27' ' ' ARG . . . -150.14 -147.23 4.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.42 165.33 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -92.55 127.95 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 m -130.07 161.36 31.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -83.26 138.94 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -72.56 104.2 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -132.12 89.88 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.858 0.361 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.1 140.66 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.04 152.44 19.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.9 p -124.12 177.99 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 6.0 mt -76.34 109.28 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -100.3 170.02 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 140.34 52.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.71 26.87 31.01 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.99 176.09 6.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -96.39 127.64 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.76 128.15 13.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.91 161.9 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 14' ' ' TYR . 8.8 m -53.67 -49.79 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.529 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.65 25.74 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.784 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t -65.51 172.38 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 110.677 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.77 -125.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.46 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 159.1 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -70.02 175.65 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -69.86 178.0 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.57 169.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.062 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -59.12 132.96 55.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 12.88 79.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.617 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 24.9 m-85 -140.22 127.57 21.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.55 0.214 . . . . 0.0 110.696 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 4.2 p90 -117.85 171.76 7.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.86 152.51 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -131.27 143.05 50.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -83.24 150.41 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.742 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 61.2 m-20 -58.51 -57.21 13.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 11.4 p90 -159.77 162.31 25.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.803 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.79 96.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.533 2.155 . . . . 0.0 112.383 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 25.36 3.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.98 163.69 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.662 HG23 ' HD1' ' A' ' 34' ' ' PHE . 12.1 tt -112.65 -29.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.662 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.2 m-85 -119.77 145.31 46.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.875 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.14 -151.33 5.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.648 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -125.82 153.02 44.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.998 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.37 137.57 33.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 m -130.14 177.25 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.54 156.41 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.6 mmt180 -69.54 80.45 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -151.05 132.21 14.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.898 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.826 0.346 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.62 -21.48 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -59.96 -21.41 61.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.175 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.1 p -124.45 169.36 11.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 11' ' ' CYS . 73.9 mt -88.74 126.33 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -92.87 169.0 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -59.43 135.04 57.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.9 26.57 28.82 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.3 170.02 8.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -97.31 127.42 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.657 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.1 p -151.89 136.78 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 6.3 ptt180 -99.98 175.51 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.0 m -70.35 -42.74 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.1 m-85 -90.36 18.77 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.56 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' CB ' ' HG3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -67.74 174.31 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.863 0.364 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.12 -125.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.367 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.48 159.95 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 m -69.98 -177.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.88 -176.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.9 177.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.87 113.74 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.03 -14.84 31.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.796 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 2.7 m-85 -123.71 145.75 48.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.757 0.313 . . . . 0.0 110.864 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -118.38 -178.03 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -111.97 118.62 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -111.77 147.46 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.88 173.79 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -73.23 -51.56 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 6.7 p90 -159.98 160.17 27.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.787 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.07 92.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.14 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.15 36.81 0.68 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.436 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -108.76 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.605 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.1 tp -111.58 -31.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' HD1' HG23 ' A' ' 33' ' ' ILE . 26.7 m-85 -139.16 159.66 41.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 0.0 111.017 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -149.88 5.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.458 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 m -132.56 163.32 29.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 t -94.61 133.84 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 m -130.05 158.02 40.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -91.41 117.82 30.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.41 169.4 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.918 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.46 -66.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.44 153.39 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.9 p -133.37 -177.45 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 11' ' ' CYS . 23.8 mt -109.42 114.63 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.41 173.37 8.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.784 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 134.17 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.36 24.84 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.49 159.79 25.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.838 0.352 . . . . 0.0 111.043 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -90.7 130.65 36.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.613 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.3 p -147.18 129.22 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.1 161.32 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 17.1 m -52.74 -45.67 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.523 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.0 m-85 -90.61 22.34 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.637 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 83.0 p -63.56 175.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 110.757 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.97 -124.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.34 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 168.83 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.755 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 m -71.73 178.08 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.9 -178.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.6 m -60.86 178.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -64.62 120.66 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.43 19.53 66.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.632 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 17.7 m-85 -134.43 140.78 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.667 0.27 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 2.0 p90 -125.68 163.61 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.06 124.01 46.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.74 144.71 37.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -85.37 156.84 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 71.3 m-20 -59.37 -51.11 71.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.6 p90 -157.46 160.95 30.05 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.759 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.55 99.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.634 2.223 . . . . 0.0 112.127 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.1 26.93 3.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.537 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.406 ' OG ' ' CD2' ' A' ' 29' ' ' PHE . 50.0 m -106.23 168.18 9.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.652 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.4 tt -113.42 -30.81 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.652 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.5 m-85 -119.3 146.53 45.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.028 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.19 -149.38 4.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.367 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.98 158.48 44.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -87.34 136.73 32.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -130.03 148.95 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 8.0 ptt180 -66.84 135.21 53.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 61.6 ttt180 -84.42 -40.86 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -164.29 106.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.889 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 50.3 p90 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.838 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 m -103.58 132.53 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.97 106.37 8.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p -142.04 168.94 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 11' ' ' CYS . 76.5 mt -75.15 119.16 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -93.99 169.92 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -57.17 133.24 54.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.05 24.67 47.64 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.51 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.52 162.59 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -90.02 127.37 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.73 ' HB3' HD13 ' A' ' 5' ' ' LEU . 14.6 p -147.03 138.47 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.8 167.43 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG12 HH21 ' A' ' 27' ' ' ARG . 12.4 m -56.73 -50.53 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.379 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.516 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.7 m-85 -90.83 23.37 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.724 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -57.7 -179.92 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.752 0.311 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.78 -125.93 0.2 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.382 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.42 161.53 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.804 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -69.99 175.27 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.07 178.24 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.1 173.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.1 114.77 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.55 20.06 35.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.677 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 89.5 m-85 -134.31 143.14 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.98 169.89 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -133.26 127.9 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -131.29 155.67 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.522 HH21 HG12 ' A' ' 13' ' ' VAL . 1.5 ptp85 -78.12 -179.83 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.31 -59.85 2.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 3.0 p90 -146.77 162.16 34.71 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 6.9 Cg_endo -49.24 100.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.824 2.35 . . . . 0.0 112.088 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.41 24.86 3.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.573 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -109.55 163.63 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.9 tt -116.97 -30.7 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.355 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.7 m-85 -113.43 148.27 36.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.203 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -148.69 4.83 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -136.08 164.75 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -107.17 129.49 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.3 m -130.12 144.92 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 1.5 ppt_? -59.74 138.67 57.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -78.9 153.06 30.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.8 155.93 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.811 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.3 m -98.62 30.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.225 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -115.85 125.82 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p -114.14 174.18 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 11' ' ' CYS . 86.1 mt -81.85 123.1 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.9 t80 -92.76 168.13 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -59.43 130.39 46.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.94 26.99 17.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.569 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.02 173.71 6.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.43 118.56 31.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HB3' HD13 ' A' ' 5' ' ' LEU . 29.5 p -146.01 134.99 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -102.09 164.7 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.954 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.8 m -55.94 -50.67 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.577 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.79 26.99 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.583 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 53.3 p -64.69 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.07 -122.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.626 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 172.94 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -88.64 170.78 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.94 170.2 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.53 117.87 6.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.32 20.03 47.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 39.9 m-85 -140.03 132.45 28.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -116.36 178.33 4.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 t -114.27 118.2 33.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -112.88 134.79 54.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -79.01 175.19 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -71.9 -56.43 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 5.0 p90 -152.78 161.46 29.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 9.3 Cg_endo -50.64 96.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.718 2.279 . . . . 0.0 112.162 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.04 -22.86 3.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.462 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -69.92 164.07 24.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.845 0.355 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.606 HG23 ' HD1' ' A' ' 34' ' ' PHE . 11.0 tt -115.1 -31.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.606 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -111.65 145.01 39.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.08 -153.75 6.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.51 151.46 46.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.3 t -91.84 126.65 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.0 m -130.04 160.17 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -68.52 151.73 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.794 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -97.48 118.94 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -123.88 179.58 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.935 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 t -83.17 152.91 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -115.26 165.5 12.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p -140.39 -178.01 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 11' ' ' CYS . 40.2 mt -96.56 126.54 41.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.5 t80 -102.58 175.51 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.87 134.63 42.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.1 49.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 5' ' ' LEU . . . -108.02 168.03 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -94.66 132.29 39.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.58 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.4 p -158.53 131.57 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -100.16 178.27 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.3 m -66.46 -49.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.86 22.28 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.715 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -59.71 174.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.46 -125.8 0.11 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 161.57 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -72.52 -172.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.86 -177.44 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.95 175.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.27 116.29 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.29 20.11 59.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.665 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 14.2 m-85 -129.89 139.97 51.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 38' ' ' SER . 9.8 p90 -121.84 174.66 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -123.2 139.56 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -122.07 157.02 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.33 157.55 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -67.93 -54.62 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -160.15 162.49 24.02 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.51 99.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.602 2.202 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.09 40.66 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 p -106.0 169.97 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 111.026 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.581 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.5 tp -113.47 -31.79 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' HD1' HG23 ' A' ' 33' ' ' ILE . 21.2 m-85 -134.24 150.81 51.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.91 -148.6 5.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.9 m -135.49 158.05 45.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.0 t -90.57 133.73 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 5.7 m -127.7 144.81 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.29 141.8 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -95.1 46.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -94.02 156.54 16.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.901 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.69 140.34 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.9 -172.97 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 p -101.0 170.3 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 117.06 4.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 26.0 t80 -103.1 163.26 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.5 ptt180 -58.48 148.07 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.52 42.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 36' ' ' THR . . . -125.25 175.07 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -98.49 129.12 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -142.95 137.79 29.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.99 171.38 7.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.509 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.5 m -62.96 -51.72 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.617 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.509 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.93 27.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.992 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -64.14 170.19 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.92 -124.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.308 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.07 150.65 24.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.89 176.23 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -69.9 172.9 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.6 m -58.68 160.58 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.1 118.6 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.29 -15.44 42.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.588 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 6.1 m-85 -121.8 137.15 54.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -119.51 161.4 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.9 t -90.8 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -133.15 148.41 52.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -91.92 156.5 17.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 17.2 m-20 -59.58 -69.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.407 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 8.7 p90 -145.4 162.72 35.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 81.1 Cg_exo -47.78 99.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.574 2.183 . . . . 0.0 112.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.19 8.05 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.718 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -99.6 149.13 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.319 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.632 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.1 tt -102.86 -30.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.253 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.632 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.6 m-85 -113.72 145.79 40.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.186 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.07 -140.8 3.29 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 9' ' ' ALA . 56.1 m -143.32 145.11 32.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.11 140.36 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 m -130.1 172.96 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.5 ptm180 -89.46 136.24 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -82.78 83.3 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -99.06 32.23 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.936 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.7 m -98.57 31.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.13 118.82 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 p -102.76 -177.7 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -84.46 105.3 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 14.7 t80 -99.94 166.58 10.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.18 141.54 50.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.09 -26.0 21.95 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.89 164.82 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -93.73 153.73 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.06 138.38 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -99.95 160.88 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.98 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.544 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.4 m -54.64 -48.11 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.517 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.544 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.63 25.48 2.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.814 -179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 30.2 p -66.18 170.02 6.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.312 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.79 -124.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.413 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.66 153.38 16.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 m -69.99 -178.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 m -70.05 -177.6 1.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.83 173.23 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.19 110.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.35 13.54 32.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.69 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 29.8 m-85 -140.1 153.27 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.82 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -137.33 165.94 24.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -90.05 127.07 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -111.13 155.87 22.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.521 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 6.5 mtt180 -93.96 167.04 11.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -79.05 -59.68 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.56 162.94 25.11 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.01 97.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.611 2.208 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.27 26.65 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.3 t -106.93 154.65 20.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.4 tt -107.06 -30.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.0 m-85 -118.59 147.48 43.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -134.91 2.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.7 165.34 29.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.339 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.9 t -86.98 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -129.99 166.04 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 3.8 ptt180 -86.34 125.89 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -62.95 152.21 37.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.58 -174.39 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.913 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.817 0.342 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.32 152.96 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -158.08 104.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.2 p -108.91 -177.58 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -102.26 134.13 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.19 171.59 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 135.04 56.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.61 27.35 35.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.68 160.16 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -89.99 114.01 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 p -133.68 151.2 51.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.05 164.83 16.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 14' ' ' TYR . 11.1 m -55.94 -51.27 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.673 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.0 m-85 -90.8 25.4 2.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.078 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 p -62.58 178.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.38 -123.82 0.19 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.304 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 157.11 16.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -69.97 175.28 4.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -69.94 -178.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.4 m -59.59 160.95 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -58.63 126.24 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.16 -20.09 49.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.68 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 4.6 m-85 -101.41 165.95 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CD1' ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -150.15 151.18 32.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.977 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -90.91 142.23 27.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -127.88 135.81 50.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 178.65 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -84.35 -52.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -155.2 161.89 28.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.67 92.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.733 2.289 . . . . 0.0 112.128 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.85 26.19 3.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.553 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 t -91.39 175.93 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' HD1' ' A' ' 34' ' ' PHE . 1.5 tp -119.91 -34.96 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.291 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.545 ' HD1' HG23 ' A' ' 33' ' ' ILE . 14.4 m-85 -130.41 152.72 49.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.891 0.377 . . . . 0.0 111.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.86 5.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 m -130.87 148.9 52.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.6 t -85.06 129.35 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -130.14 174.76 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.0 142.97 27.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -93.35 44.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -124.07 106.91 10.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.887 -179.96 . . . . . . . . 0 0 . 1 stop_ save_